SCHEMBL2996873

SCHEMBL2996873

CCC(C)(CC1CO1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL22440169 0.82 ALDH1A1 (0.32) TSHRALDH1A1MAPK1
SCHEMBL6244589 0.79 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL28522397 0.78 CYP2D6 (0.32) TSHRCYP2D6CYP2C19HIF1AGRM2
SCHEMBL9154532 0.78 ALDH1A1 (0.32) ALDH1A1GRM2GRM3
SCHEMBL7540204 0.77 ALDH1A1 (0.37) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL18302657 0.77 ALDH1A1 (0.37) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL5718550 0.75 ALDH1A1 (0.43) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL5249504 0.75 TET2 (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL6519062 0.74 ALDH1A1 (0.38) TSHRALDH1A1MAPK1
SCHEMBL3193100 0.73 ALDH1A1 (0.34) TSHRHIF1AALDH1A1MAPK1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050426-A1 Synthesized through ring-opening polymerization of functionalized epoxides alone or in combination with cyclic esters under mild, controlled conditions SHASTRI VENKATRAM P (US) 2003-03-13 US claimed
WO-2003000766-A1 FUNCTIONALIZED DEGRADABLE POLYMERS SHASTRI VENKATRAM PRASAD (US) 2003-01-03 WO claimed
US-7658998-B2 Mixture of biocompatibility polymer and active materials, drugs ALKERMES CONTROLLED THERAPEUTICS, INC. (US) 2010-02-09 US disclosed
US-20040247870-A1 Method of preparing sustained release microparticles ALKERMES, INC. 2004-12-09 US disclosed
WO-2004064752-A2 METHOD OF PREPARING SUSTAINED RELEASE MICROPARTICLES ALKERMES CONTROLLED THERAPEUTICS, INC. (US) 2004-08-05 WO disclosed
US-6730772-B2 SYNTHESIZED THROUGH RING-OPENING POLYMERIZATION OF FUNCTIONALIZED EPOXIDES ALONE OR IN COMBINATION WITH CYCLIC ESTERS UNDER MILD, CONTROLLED CONDITIONS SHASTRI VENKATRAM P (US) 2004-05-04 US disclosed
US-20030050426-A1 Synthesized through ring-opening polymerization of functionalized epoxides alone or in combination with cyclic esters under mild, controlled conditions SHASTRI VENKATRAM P (US) 2003-03-13 US disclosed
WO-2003000766-A1 FUNCTIONALIZED DEGRADABLE POLYMERS SHASTRI VENKATRAM PRASAD (US) 2003-01-03 WO disclosed