SCHEMBL7589782

SCHEMBL7589782

COc1ccc(C2(C)CSc3ccccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
LMNA P02545 2/20 0.55
ACHE P22303 3/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL7116082 0.86 KDM4E (0.50) MAPTLMNAACHENPC1RAB9A
SCHEMBL7117419 0.86 KDM4E (0.50) MAPTLMNAACHENPC1RAB9A
SCHEMBL5856000 0.86 KDM4E (0.50) MAPTLMNAACHENPC1RAB9A
SCHEMBL7589596 0.84 KDM4E (0.48) MAPTLMNAACHEALDH1A1TP53
SCHEMBL5857384 0.79 KDM4E (0.46) MAPTLMNAALDH1A1SMN1; SMN2MAOA
SCHEMBL5853940 0.74 KDM4E (0.43) MAPTLMNAACHEKMT2AALDH1A1
SCHEMBL5854545 0.73 KDM4E (0.45) MAPTLMNAACHERAB9AKMT2A
SCHEMBL2156133 0.70 LMNA (0.47) MAPTLMNAACHEGAA
SCHEMBL9882798 0.70 MAPT (0.68) MAPTLMNAACHENPC1RAB9A
SCHEMBL2155926 0.69 MAPT (0.46) MAPTLMNAACHENPC1RAB9A

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-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed