SCHEMBL8395205

SCHEMBL8395205

CC(=O)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
CYP19A1 P11511 4/20 0.44
NPSR1 Q6W5P4 3/20 0.42
CYP17A1 P05093 3/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL27736443 0.86 CYP19A1 (0.44) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL45476 0.83 NAAA (0.40) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL6411360 0.83 NAAA (0.40) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL27240 0.82 NPSR1 (0.45) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL242186 0.82 NAAA (0.39) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL28138951 0.82 NAAA (0.39) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL28563111 0.82 NAAA (0.42) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL22728354 0.81 PKM (0.39) NAAAALDH1A1TSHRNPC1
SCHEMBL7928675 0.81 CYP19A1 (0.39) NAAACYP19A1NPSR1CYP17A1MEN1
SCHEMBL1271394 0.80 NAAA (0.38) NAAACYP19A1NPSR1CYP17A1MEN1

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-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed