SCHEMBL5608286

SCHEMBL5608286

COC(=O)C12CC3CC(O)(CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.39
RIN1 Q13671 1/20 0.39
GLA P06280 1/20 0.37
HSD11B1 P28845 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.34
DPP4 P27487 2/20 0.33

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
SCHEMBL5607585 0.96 ALDH1A1 (0.40) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL4033960 0.88 MEN1 (0.43) ALDH1A1ABL1TSHRRIN1
SCHEMBL4033957 0.87 ALDH1A1 (0.35) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL1073923 0.87 ALDH1A1 (0.35) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL5084581 0.86 GLA (0.42) ALDH1A1TSHRGLAL3MBTL1NPSR1
SCHEMBL5608439 0.83 ALDH1A1 (0.56) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL4084962 0.83 NPSR1 (0.34) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL17586310 0.81
SCHEMBL5608188 0.80 ALDH1A1 (0.43) ALDH1A1ABL1TSHRRIN1HSD11B1
SCHEMBL28699815 0.80 CYP17A1 (0.36) ALDH1A1ABL1TSHRRIN1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed