SCHEMBL8900925

SCHEMBL8900925

C=CCOC(=O)c1ccc2c3cccc4c(C(=O)O)ccc(c5cccc1c52)c43

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TYMS P04818 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
FGFR1 P11362 2/20 0.38
RHOA P61586 1/20 0.37
GAA P10253 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8900917 0.94 CYP3A4 (0.62) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL27636009 0.88 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL28138603 0.88 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL960227 0.81 CYP3A4 (0.76) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL17386427 0.81 CYP3A4 (0.76) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL15389484 0.79 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL15013149 0.78 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10TYMS
SCHEMBL28007 0.78 TYMS (0.58) ALDH1A1HSD17B10TYMSNR4A1NR4A2
SCHEMBL29450078 0.78 TYMS (0.58) ALDH1A1HSD17B10TYMSNR4A1NR4A2
SCHEMBL28989 0.78 TYMS (0.58) ALDH1A1HSD17B10TYMSNR4A1NR4A2

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-5700897-A Method for making fluorescent polymers OPTICAL SENSORS INCORPORATED (US) 1997-12-23 US claimed