SCHEMBL6653589

SCHEMBL6653589

CC(C)(C)c1ccc(C(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.68
▸ EPHX2 P34913 2/20 0.60
▸ SIRT1 Q96EB6 1/20 0.59
▸ ESRRG P62508 1/20 0.57
▸ RAB9A P51151 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL10946728 0.89 SRD5A2 (0.83) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL1148445 0.89 SRD5A2 (0.83) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL8762167 0.88 SRD5A2 (0.52) SRD5A2EPHX2SIRT1ESRRGRAB9A
Hydrochloric Acid SCHEMBL27713186 0.87 SRD5A2 (0.79) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL10628381 0.83 SRD5A2 (0.47) SRD5A2EPHX2SIRT1ESRRGRAB9A
SCHEMBL20148804 0.83 SRD5A2 (0.73) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL12551369 0.83 SRD5A2 (0.73) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL12451655 0.83 SRD5A2 (0.73) SRD5A2EPHX2SIRT1RAB9AALDH1A1
SCHEMBL33319 0.82 RAB9A (0.73) EPHX2ESRRGRAB9AALDH1A1NPC1
SCHEMBL62657 0.82 CA12 (0.59) SRD5A2RAB9AALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 — — EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 — — US disclosed
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 — — EP disclosed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 — — WO disclosed
Send feedback