SCHEMBL4031496

SCHEMBL4031496

Brc1ccc2c3c(ccc2c1)OCCC3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
DPP4 P27487 2/20 0.40
ACHE P22303 2/20 0.37
SIRT2 Q8IXJ6 6/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 1/20 0.34
BCHE P06276 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL4024270 0.90 MAPT (0.44) MAPTLMNAHTTBLMSIRT1
SCHEMBL13848956 0.81 LMNA (0.42) MAPTLMNAACHESIRT2BCHE
SCHEMBL8128999 0.81 KDM4E (0.39) MAPTSIRT1MEN1KMT2A
SCHEMBL3565631 0.80 MAPT (0.44) MAPTLMNAHTTBLMSIRT1
SCHEMBL3568948 0.80 MAPT (0.44) MAPTLMNAHTTBLMSIRT1
SCHEMBL30003445 0.76 KDM4E (0.53) MAPTLMNAHTTSIRT1ACHE
SCHEMBL29670013 0.76 KDM4E (0.53) MAPTLMNAHTTSIRT1ACHE
SCHEMBL371993 0.76 KDM4E (0.53) MAPTLMNAHTTSIRT1ACHE
SCHEMBL3568497 0.76 MAPT (0.52) MAPTLMNAHTTBLMSIRT1
SCHEMBL14548104 0.73 MAPT (0.38) MAPTLMNAHTTBLMSIRT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-0755527-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2000-03-15 EP disclosed
US-5674432-A USED FOR OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1997-10-07 US disclosed
EP-0755527-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1997-06-18 EP disclosed
EP-0755527-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-01-29 EP disclosed
US-5565147-A OPHTHALMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1996-10-15 US disclosed
WO-1995027914-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-10-19 WO disclosed
US-5451344-A Opthalmic lenses or transparencies for photochromic compounds TRANSITIONS OPTICAL, INC. (US) 1995-09-19 US disclosed