SCHEMBL9733601

SCHEMBL9733601

CCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.68
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
PLA2G4B P0C869 7/20 0.58
PLA2G4A P47712 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL10662140 0.88 TSHR (0.62) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL15768397 0.88 TSHR (0.62) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL10663731 0.88 TSHR (0.62) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL10664855 0.87 TSHR (0.59) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9733671 0.84 RARB (0.69) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL11040996 0.84 P4HTM (0.60) TSHRPLA2G4BKDM4EALDH1A1CYP3A4
SCHEMBL10462957 0.84 RARB (0.60) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL10621209 0.84 RARB (0.60) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL10496389 0.84 RARB (0.60) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9734197 0.84 RARB (0.60) RARBTSHRTP53PLA2G4BPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118442-A Photochemical stability; low temperature range; rapid response MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-06-02 US disclosed
EP-0410142-A2 Optically active liquid crystal compounds MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-01-30 EP disclosed