SCHEMBL9735795

SCHEMBL9735795

CCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.60
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PTPN11 Q06124 2/20 0.56
PLA2G4B P0C869 6/20 0.56
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PLA2G4A P47712 1/20 0.51
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49

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
SCHEMBL9083314 0.82 CYP3A4 (0.46) RARBTP53PTPN11NPC1RAB9A
SCHEMBL9435152 0.82 L3MBTL1 (0.57) RARBTP53TSHRNPC1RAB9A
SCHEMBL9082814 0.82 CYP3A4 (0.46) RARBTP53PTPN11NPC1RAB9A
SCHEMBL9084803 0.82 CYP3A4 (0.46) RARBTP53PTPN11NPC1RAB9A
SCHEMBL9082679 0.82 CYP3A4 (0.46) RARBTP53PTPN11NPC1RAB9A
SCHEMBL9435143 0.82 L3MBTL1 (0.57) RARBTP53TSHRNPC1RAB9A
SCHEMBL9435131 0.82 L3MBTL1 (0.57) RARBTP53TSHRNPC1RAB9A
SCHEMBL10834253 0.82 SOAT1 (0.57) TP53PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL9733610 0.82 RARB (0.60) RARBTP53TSHRPTPN11PLA2G4B
SCHEMBL9083729 0.81 KDM4E (0.46) RARBTP53PTPN11NPC1NFKB1

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