SCHEMBL23964694

SCHEMBL23964694

CC(Cc1c(F)cc(O)cc1F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
GABRR1 P24046 2/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRSS1 P07477 5/20 0.34
TMPRSS15 P98073 5/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
STING1 Q86WV6 1/20 0.33

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
SCHEMBL24802237 0.81 GABRR1 (0.33) OPRM1GABRR1PRSS1TMPRSS15FFAR4
SCHEMBL14032468 0.79 CYP3A4 (0.41) OPRM1CYP3A4
SCHEMBL7136191 0.79 APAF1 (0.41) GABRR1PRSS1TMPRSS15KDM4EAPAF1
SCHEMBL25469331 0.79 CYP3A4 (0.41) OPRM1CYP3A4
SCHEMBL6264063 0.79 CYP3A4 (0.41) OPRM1CYP3A4
SCHEMBL19750294 0.78 TAAR1 (0.50) OPRM1TAAR1
SCHEMBL296982 0.78 USP2 (0.53) TAAR1CYP3A4CYP2C9KDM4EPOLB
SCHEMBL296983 0.78 USP2 (0.53) TAAR1CYP3A4CYP2C9KDM4EPOLB
SCHEMBL26379094 0.77 CHRNA7 (0.44) GABRR1APPCYP3A4CYP2C9CYP2C19
SCHEMBL9067390 0.75 ALDH1A1 (0.39) CYP2C9FFAR4KDM4EAPAF1POLB

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
WO-2021216529-A1 β-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2021-10-28 WO disclosed