SCHEMBL9870013

SCHEMBL9870013

CCCCOCCC(C(=O)O)=C(CCOCCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
THRB P10828 2/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 1/20 0.41
RARB P10826 1/20 0.40
AKR1B1 P15121 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 5/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
HDAC11 Q96DB2 4/20 0.38

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
SCHEMBL9870006 1.00 TSHR (0.48) TSHRTHRBFNTAFNTBPGGT1B
SCHEMBL11745674 0.87 FNTA (0.42) TSHRTHRBFNTAFNTBPGGT1B
Oxalic Acid SCHEMBL27852342 0.84 TSHR (0.59) TSHRTHRBCYP3A4ALDH1A1CES2
SCHEMBL6522496 0.82 FAAH (0.49) THRBFNTAFNTBPGGT1BCES2
SCHEMBL6522490 0.82 FAAH (0.49) THRBFNTAFNTBPGGT1BCES2
SCHEMBL249764 0.82 AKR1B1 (0.54) TSHRALDH1A1AKR1B1MEN1KMT2A
SCHEMBL476951 0.80 AKR1B1 (0.52) TSHRTHRBCYP3A4ALDH1A1AKR1B1
SCHEMBL2947287 0.80 AKR1B1 (0.52) TSHRTHRBCYP3A4ALDH1A1AKR1B1
SCHEMBL2948128 0.80 AKR1B1 (0.52) TSHRTHRBCYP3A4ALDH1A1AKR1B1
SCHEMBL11764726 0.80 AKR1B1 (0.52) TSHRALDH1A1AKR1B1MEN1KMT2A

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-0253011-B1 COPOLYMERS OF BENZOTRIAZOL MONOMERS WITH MALEIC OR FUMARIC ACID DERIVATIVES AND POLYMERIC MATERIAL COMPOSITIONS MORISAWA & CO., LTD. (JP) 1991-03-20 EP disclosed
EP-0253011-A1 Copolymers of benzotriazol monomers with maleic or fumaric acid derivatives and polymeric material compositions MORISAWA & CO., LTD. (JP) 1988-01-20 EP disclosed
US-4686268-A PHOTOSTABILITY MORISAWA & CO., LTD. (JP) 1987-08-11 US disclosed