SCHEMBL7319873

SCHEMBL7319873

Cc1cc(C=O)c([N+](=O)[O-])cc1OCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
VDR P11473 1/20 0.41
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
PRKDC P78527 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7309041 0.88 LMNA (0.43) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7308459 0.86 THRA (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7318314 0.84 THRA (0.43) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL10374771 0.83 LMNA (0.47) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL10377100 0.83 LMNA (0.47) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7321047 0.83 ALDH1A1 (0.47) THRATHRBALOX15HSD17B10TSHR
Hydrochloric Acid SCHEMBL7318415 0.82 ALDH1A1 (0.46) THRATHRBALOX15HSD17B10TSHR
SCHEMBL27118714 0.81 ALDH1A1 (0.47) THRATHRBLMNASMN1; SMN2ALOX15
SCHEMBL7309433 0.80 ALDH1A1 (0.44) THRATHRBLMNASMN1; SMN2NPSR1
SCHEMBL7318409 0.80 ALDH1A1 (0.46) THRATHRBLMNASMN1; SMN2ALOX15

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