SCHEMBL9720783

SCHEMBL9720783

CC(C)(C)C(Cc1ccccc1)OC(=O)/C=C/C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.53
TAAR1 Q96RJ0 2/20 0.49
SLC15A1 P46059 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 1/20 0.38
SRR Q9GZT4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL3482646 0.83 HCAR2 (0.61) HCAR2TAAR1SLC15A1ALDH1A1LMNA
SCHEMBL3482637 0.83 HCAR2 (0.61) HCAR2TAAR1SLC15A1ALDH1A1LMNA
SCHEMBL28652308 0.80 SRR (0.45) TAAR1LMNACYP1A2ATMPPARG
SCHEMBL2487162 0.78 HCAR2 (0.59) HCAR2TAAR1SLC15A1ALDH1A1LMNA
SCHEMBL3482638 0.77 HCAR2 (0.53) HCAR2TAAR1CYP1A2TSHRSRR
SCHEMBL3482808 0.77 HCAR2 (0.53) HCAR2TAAR1CYP1A2TSHRSRR
SCHEMBL28500285 0.77 HCAR2 (0.57) HCAR2TAAR1SLC15A1
SCHEMBL7146652 0.77 HCAR2 (0.57) HCAR2TAAR1SLC15A1
SCHEMBL7044298 0.77 HCAR2 (0.50) HCAR2TAAR1SLC15A1PPARGPPARA
SCHEMBL9709350 0.75 HCAR2 (0.53) HCAR2ALDH1A1ATMPPARATSHR

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-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4670520-A HEATING NIPPON OIL & FAT CO., LTD. (JP) 1987-06-02 US disclosed