SCHEMBL256363

SCHEMBL256363

CC1(C)COc2ccc(Br)cc2OC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55
AHR P35869 3/20 0.45
BACE1 P56817 6/20 0.39
MAOB P27338 2/20 0.38
ACACB O00763 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30133855 0.81 LMNA (0.47) LMNAMAPTHTTBLMAHR
SCHEMBL25798091 0.81 LMNA (0.47) LMNAMAPTHTTBLMAHR
SCHEMBL25798092 0.81 LMNA (0.47) LMNAMAPTHTTBLMAHR
SCHEMBL12988533 0.80 LMNA (0.55) LMNAMAPTHTTBLMAHR
SCHEMBL11998342 0.78 HTR1A (0.45) LMNAMAPTHTTACACBNPC1
SCHEMBL154708 0.76 LMNA (0.65) LMNAMAPTHTTBLMAHR
SCHEMBL661042 0.76 MAPT (0.87) LMNAMAPTHTTBLMAHR
SCHEMBL29459415 0.76 LMNA (0.65) LMNAMAPTHTTBLMAHR
SCHEMBL3792549 0.76 CYP3A4 (0.61) MAPTMAOBACACBNPC1RAB9A
SCHEMBL3797296 0.76 ACACB (0.36) ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6157427-A None JP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
WO-2014056771-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-5475163-A Nitration with anhydrous mixture of nitric, sulfuric and phosphoric acids BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
JP-H06157427-A PREPARATION OF 2,3-DICHLORONITROBENZENE BAYER AG 1994-06-03 JP disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 EP disclosed