SCHEMBL6789638

SCHEMBL6789638

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
ACP3 P15309 1/20 0.48
EPHX1 P07099 4/20 0.46
NR4A2 P43354 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7044262 0.78 CTBP2 (0.47) TAAR1
SCHEMBL5487172 0.78 CTBP2 (0.50) MAOBKDM4EALDH1A1TAAR1THRA
Acetic Acid SCHEMBL3077099 0.78 ACP3 (0.56) MAOBMEN1KMT2AMAPTACP3
SCHEMBL30530 0.77 CYP2C9 (0.51) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL30528 0.77 CYP2C9 (0.51) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL15733040 0.77 PTGS2 (0.48) NR4A2
SCHEMBL5120039 0.76 ALDH1A1 (0.51) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL5120041 0.76 ALDH1A1 (0.51) MEN1KMT2AMAPTACP3EPHX1
Iodide SCHEMBL3761279 0.76 CYP2C9 (0.50) MAOBMEN1KMT2AMAPTALDH1A1
SCHEMBL39835 0.76 TAAR1 (0.56) MAOBMEN1KMT2AMAPTACP3

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