SCHEMBL8622241

SCHEMBL8622241

CCOC(=O)C(F)(F)F.NC(CC(=O)O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP8 P22894 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CPA1 P15085 3/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
EPHX1 P07099 1/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
PIN1 Q13526 1/20 0.40
CTRB1 P17538 1/20 0.40
PPID Q08752 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL1395876 0.84 EPHX1 (0.53) CPA1EPHX1CPB1CPA3CPB2
Trifluoroacetic Acid SCHEMBL6157790 0.84 EPHX1 (0.53) CPA1EPHX1CPB1CPA3CPB2
SCHEMBL287736 0.80 EPHX1 (0.64) CPA1EPHX1CPB1CPA3CPB2
SCHEMBL123055 0.80 EPHX1 (0.64) CPA1EPHX1CPB1CPA3CPB2
SCHEMBL197907 0.80 EPHX1 (0.64) CPA1EPHX1CPB1CPA3CPB2
SCHEMBL1646942 0.79 EPHX1 (0.50) MMP8ALDH1A1EPHX1MEN1NPC1
SCHEMBL1645938 0.79 EPHX1 (0.50) MMP8ALDH1A1EPHX1MEN1NPC1
Acetic Acid SCHEMBL6690172 0.78 ALPI (0.58) TAAR1CPA1EPHX1CPB1CPA3
Hydrochloric Acid SCHEMBL654577 0.78 EPHX1 (0.61) CPA1EPHX1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL654576 0.78 EPHX1 (0.61) CPA1EPHX1CPB1CPA3CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed