SCHEMBL9733671

SCHEMBL9733671

CCCCCCCCCCCCCCCCCCOc1ccc(-c2cnc(C(=O)O)nc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.69
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 7/20 0.60
PLA2G4A P47712 1/20 0.55
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR5A1 Q13285 1/20 0.51
PTPN11 Q06124 1/20 0.51
PLA2G2A P14555 1/20 0.50

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
SCHEMBL9733601 0.84 RARB (0.68) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8532269 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5858775 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7172427 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8943017 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL4185457 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL641904 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5828640 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8300827 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8535621 0.82 RARB (1.00) RARBTP53TSHRPLA2G4BPLA2G4A

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