SCHEMBL9735940

SCHEMBL9735940

CC1(C)Oc2ccc(Br)cc2C(Oc2ccc(=O)[nH]n2)=C1CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 3/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL9740084 0.84 CNR2 (0.36) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL9733370 0.82 KDM4E (0.34) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL9738641 0.78 NSD2 (0.33) KDM4ENPSR1MEN1KMT2APTGES
SCHEMBL9735400 0.78 KDM4E (0.35) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL9736236 0.73 KDM4E (0.33) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL9733368 0.69 ALOX5 (0.36) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL9372031 0.68 KDM4E (0.33) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL9147909 0.66 NR1H4 (0.33) KDM4ENPSR1NR1H4
SCHEMBL9737886 0.65 TLK2 (0.32) KDM4EALDH1A1
SCHEMBL9736485 0.64 IDO1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed