SCHEMBL9734731

SCHEMBL9734731

CCCCCCCCCCCCCCCCCCc1ccc(-c2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.82
▸ NPC1 O15118 6/20 0.82
▸ RAB9A P51151 6/20 0.82
▸ NFKB1 P19838 1/20 0.82
▸ NFKB2 Q00653 1/20 0.82
▸ RELA Q04206 1/20 0.82
▸ RARB P10826 9/20 0.69
▸ MAPT P10636 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ RARA P10276 1/20 0.69
▸ MTOR P42345 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ TP53 P04637 1/20 0.67
▸ STAT3 P40763 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59

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
SCHEMBL8595854 0.92 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9723816 0.92 RAB9A (0.97) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL10662853 0.92 RAB9A (0.97) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9805357 0.90 RAB9A (1.00) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL10557313 0.88 RAB9A (0.71) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL18573222 0.86 RAB9A (0.70) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9745699 0.85 RARB (0.79) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL11614238 0.85 RARB (0.79) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL11662655 0.85 RARB (0.79) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9745075 0.85 RARB (0.79) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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
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