SCHEMBL6789636

SCHEMBL6789636

C=C(CCc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.53
FFAR1 O14842 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MAPT P10636 1/20 0.49
EPHX1 P07099 1/20 0.49
ACP3 P15309 1/20 0.49
KDM4E B2RXH2 2/20 0.48
S1PR1 P21453 1/20 0.48
GRK5 P34947 1/20 0.48
CDK8 P49336 1/20 0.48
S1PR5 Q9H228 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
NR4A2 P43354 2/20 0.47

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
SCHEMBL365336 0.84 FFAR1 (0.70) FFAR4FFAR1TAAR1THRATHRB
Hydrochloric Acid SCHEMBL30765594 0.83 FFAR1 (0.68) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL8491974 0.82 TAAR1 (0.61) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL7557331 0.82 FFAR4 (0.51) FFAR4FFAR1THRATHRBMEN1
SCHEMBL2368913 0.81 FFAR1 (0.54) FFAR4FFAR1TAAR1HDAC1HDAC8
SCHEMBL27930024 0.80 HDAC1 (0.57) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL16575624 0.80 TAAR1 (0.57) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL185922 0.80 TAAR1 (0.62) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL30645023 0.80 TAAR1 (0.62) FFAR4FFAR1TAAR1THRATHRB
SCHEMBL1509 0.80 TAAR1 (0.57) FFAR4FFAR1TAAR1THRATHRB

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-6673850-B1 ODORLESS PHOTOINITIATOR COMPOUNDS HAVING CHAIN TRANSFER GROUPS CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-06 US disclosed