SCHEMBL6562921

SCHEMBL6562921

Cc1ccc(O)cc1-c1c(C)cc(C(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HCAR1 Q9BXC0 2/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA6 P23280 2/20 0.42
CA3 P07451 1/20 0.42
TYR P14679 1/20 0.42
DRD1 P21728 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
SCHEMBL6882208 0.81 CA12 (0.50) HTTSMN1; SMN2MAPTTDP1LMNA
SCHEMBL6562948 0.81 HSD17B1 (0.50) HTTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6563011 0.79 HSD17B1 (0.56) HTTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8047467 0.76 TPMT (0.59) TTRSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL21282229 0.74 SRD5A2 (0.54) TTRHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6564927 0.74 CA12 (0.53) TTRHCAR1CA12CA1CA2
SCHEMBL8059881 0.73 ACHE (0.52) MAPTLMNAACHEALDH1A1CYP3A4
SCHEMBL2744380 0.73 MYC (0.53) TTRMEN1MAPTKMT2ATDP1
SCHEMBL6564894 0.72 TTR (0.54) TTRSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL31544755 0.72 CA12 (0.47) HTTMEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed