SCHEMBL7310929

SCHEMBL7310929

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 6/20 0.42
THRA P10827 5/20 0.42
VCAM1 P19320 1/20 0.38
CA9 Q16790 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7311442 0.85 NPC1 (0.43) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL7308962 0.84 HPGD (0.42) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL7317901 0.76 ALDH1A1 (0.44) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7310719 0.75 THRA (0.42) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL7321082 0.71 THRA (0.47) THRBTHRACA9ALDH1A1MAPT
SCHEMBL16175317 0.70 MAPT (0.46) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7313197 0.70 THRA (0.36) HPGDTSHRSMN1; SMN2THRBTHRA
SCHEMBL9117309 0.70 HPGD (0.65) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL7309225 0.69 THRB (0.47) RAB9ANPC1HPGDTSHRSMN1; SMN2
SCHEMBL10374480 0.67 SIRT5 (0.43) HPGDSMN1; SMN2THRBTHRAALDH1A1

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