SCHEMBL8618113

SCHEMBL8618113

CC(=CCCC(=O)O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR7 P34969 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL8618110 1.00 TBXAS1 (0.44) TBXAS1NPC1RAB9AHTR7CES2
SCHEMBL3361176 0.84 KMT2A (0.55) TBXAS1NPC1RAB9ACES2CES1
SCHEMBL3361173 0.84 KMT2A (0.55) TBXAS1NPC1RAB9ACES2CES1
SCHEMBL3361178 0.84 KMT2A (0.55) TBXAS1NPC1RAB9ACES2CES1
SCHEMBL28365872 0.82 CES2 (0.43) NPC1RAB9AHTR7CES2CES1
SCHEMBL10470024 0.82 TBXAS1 (0.58) TBXAS1NPC1RAB9ACES2CES1
SCHEMBL18691938 0.78 TBXAS1 (0.42) TBXAS1NPC1RAB9AHTR7CES2
SCHEMBL18691936 0.78 TBXAS1 (0.42) TBXAS1NPC1RAB9AHTR7CES2
SCHEMBL5636230 0.77 ALOX5 (0.41) NPC1RAB9AHTR7CES2CES1
SCHEMBL5636232 0.77 ALOX5 (0.41) NPC1RAB9AHTR7CES2CES1

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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed