SCHEMBL9768233

SCHEMBL9768233

O=C(COc1ccc(Cl)cc1)C1(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.54
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NR4A2 P43354 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GPR183 P32249 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9300277 0.79 ATF4 (0.58) ATF4RAB9APOLBMAPTHPGD
SCHEMBL10446002 0.78 ATF4 (0.56) ATF4RAB9APOLBMAPTHPGD
SCHEMBL9768219 0.77 GSK3B (0.44) POLBMEN1KMT2ACYP2C9CYP2C19
SCHEMBL23630306 0.76 SSTR1 (0.46) POLBMEN1KMT2ATSHRCYP2C9
SCHEMBL11296862 0.75 OPRM1 (0.49) POLBMEN1KMT2ACYP2C9CYP2C19
SCHEMBL9768235 0.75 SSTR1 (0.48) RAB9APOLBMEN1KMT2AMAOA
SCHEMBL2699816 0.73 MEN1 (0.67) RAB9APOLBMAPTHPGDMEN1
SCHEMBL11440981 0.72 MAPT (0.60) ATF4RAB9APOLBMAPTHPGD
SCHEMBL9578176 0.71 ATF4 (0.52) ATF4RAB9APOLBMAPTHPGD
SCHEMBL3328507 0.71 ALDH1A1 (0.52) ATF4RAB9APOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988383-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0384246-A2 Cyclopropyl-hydroxyethyl-azolyl derivatives BAYER AG (DE) 1990-08-29 EP disclosed