SCHEMBL7308962

SCHEMBL7308962

CCCCCCN(CCCCCC)C(=O)CCCOc1ccc(Cl)c([N+](=O)[O-])c1C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 5/20 0.41
THRB P10828 5/20 0.41
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
VCAM1 P19320 1/20 0.36
NLRP1 Q9C000 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
CCKAR P32238 1/20 0.35
CYP19A1 P11511 2/20 0.34

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
SCHEMBL7310929 0.84 RAB9A (0.43) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7311442 0.83 NPC1 (0.43) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7319069 0.77 ALDH1A1 (0.43) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7309552 0.76 THRA (0.41) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7316914 0.72 THRA (0.46) THRATHRBCYSLTR2CYSLTR1LMNA
SCHEMBL7317566 0.70 THRB (0.44) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7317826 0.70 THRA (0.35) HPGDTSHRSMN1; SMN2THRATHRB
SCHEMBL7306686 0.70 THRA (0.36) TSHRSMN1; SMN2THRATHRBCYSLTR2
SCHEMBL16175317 0.69 MAPT (0.46) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9117309 0.68 HPGD (0.65) HPGDTSHRNPC1RAB9ASMN1; SMN2

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed