SCHEMBL4452191

SCHEMBL4452191

COc1ccc2cc(C3CCCCCC3)sc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 7/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CREBBP Q92793 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL4450293 0.81 HTR2A (0.38) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4441212 0.79 ACMSD (0.36) ALDH1A1KMT2AHPGDKDM4ENPC1
SCHEMBL10729086 0.73 PDGFRB (0.38) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL10726933 0.72 PDGFRB (0.38) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL8601229 0.70 CA2 (0.47) NPC1RAB9AMAPT
SCHEMBL4442739 0.70 CA2 (0.47) NPC1RAB9AMAPT
SCHEMBL4438841 0.70 CA2 (0.47) NPC1RAB9AMAPT
SCHEMBL4442733 0.70 CA2 (0.47) NPC1RAB9AMAPT
SCHEMBL4442755 0.70 CA2 (0.47) NPC1RAB9AMAPT
SCHEMBL26045395 0.69 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2AHPGD

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-7476691-B2 Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors LABORATOIRE THERAMEX (MC) 2009-01-13 US disclosed