SCHEMBL9709271

SCHEMBL9709271

CC(C)(C)C(OC(=O)/C=C/C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.64
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL9709277 1.00 HCAR2 (0.64) HCAR2ATML3MBTL1KDM4EALDH1A1
SCHEMBL1493626 0.82 ATM (0.41) HCAR2ATML3MBTL1ALDH1A1MAPT
SCHEMBL21372578 0.79 ATM (0.47) HCAR2ATML3MBTL1ALDH1A1LMNA
SCHEMBL21372577 0.79 ATM (0.47) HCAR2ATML3MBTL1ALDH1A1LMNA
SCHEMBL9709219 0.79 HCAR2 (0.71) HCAR2KDM4EALDH1A1MAPTLMNA
SCHEMBL9709215 0.79 HCAR2 (0.71) HCAR2KDM4EALDH1A1MAPTLMNA
SCHEMBL10339804 0.78 HCAR2 (1.00) HCAR2KDM4EALDH1A1MAPTLMNA
SCHEMBL573378 0.78 HCAR2 (1.00) HCAR2KDM4EALDH1A1MAPTLMNA
SCHEMBL17868324 0.78 HCAR2 (1.00) HCAR2KDM4EALDH1A1MAPTLMNA
SCHEMBL9607539 0.78 ALDH1A1 (0.51) HCAR2ATML3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed
US-4670520-A HEATING NIPPON OIL & FAT CO., LTD. (JP) 1987-06-02 US disclosed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP disclosed