SCHEMBL8416335

SCHEMBL8416335

CCC(O)OC(=O)C=CC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 6/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL8416328 1.00 TSHR (0.48) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL301455 0.84 TSHR (0.43) TSHRHCAR2ATM
SCHEMBL950768 0.84 TSHR (0.43) TSHRHCAR2ATM
SCHEMBL301454 0.84 TSHR (0.43) TSHRHCAR2ATM
SCHEMBL8416554 0.83 HCAR2 (0.55) TSHRALDH1A1HCAR2ATMMAPT
SCHEMBL8416560 0.83 HCAR2 (0.55) TSHRALDH1A1HCAR2ATMMAPT
SCHEMBL429885 0.82 TSHR (0.67) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL317108 0.82 TSHR (0.67) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL317107 0.82 TSHR (0.67) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL8641572 0.81 HCAR2 (0.57) TSHRALDH1A1HCAR2ATMMAPT

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-6001892-A (A) UNSATURATED POLYESTER; (B) VINYL ETHER COMPONENT OF GIVEN FORMULA; AND (C) REACTIVE DILUENT COMPRISING AN UNSATURATED DIOIC ESTER OF GIVEN FORMULA, THE DILUENT LOWERS THE INITIAL APPLICATION VISCOSITY WITHOUT INCREASING CURE TIME PPG INDUSTRIES OHO, INC. (US) 1999-12-14 US disclosed
EP-0771331-B1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES INC (US) 1998-08-26 EP disclosed
EP-0771331-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1997-05-07 EP disclosed
WO-1996001283-A1 POLYESTER AND VINYL ETHER RADIATION CURABLE COMPOSITIONS WITH REACTIVE DILUENT PPG INDUSTRIES, INC. (US) 1996-01-18 WO disclosed