SCHEMBL7902094

SCHEMBL7902094

C=C(C)c1ccc(O)cc1CCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.56
ALOX5 P09917 5/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ESR1 P03372 3/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RBP1 P09455 1/20 0.39
PTGS2 P35354 4/20 0.38
ADRA2A P08913 2/20 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
SCHEMBL7910282 0.89 TYR (0.42) TYRALOX5HTTTP53CYP3A4
SCHEMBL19840683 0.83 TYR (0.56) TYRALOX5HTTTP53CYP3A4
SCHEMBL7909295 0.82 HSD17B1 (0.51) TYRHTTTSHRALDH1A1ESR1
SCHEMBL10545932 0.81 TYR (0.58) TYRALOX5HTTTP53CYP3A4
SCHEMBL10485919 0.79 TYR (0.56) TYRALOX5HTTTP53CYP3A4
SCHEMBL39293 0.79 TYR (0.56) TYRALOX5HTTTP53CYP3A4
Hydrochloric Acid SCHEMBL10485491 0.78 TYR (0.54) TYRALOX5HTTTP53CYP3A4
SCHEMBL11466225 0.78 TYR (0.54) TYRALOX5HTTTP53CYP3A4
SCHEMBL10485484 0.78 TYR (0.54) TYRALOX5HTTTP53CYP3A4
SCHEMBL27647108 0.78 THRA (0.46) TYRALOX5HTTTP53CYP3A4

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-6211328-B1 IN PRESENCE OF AN ACID GUN EI CHEMICAL INDUSTRY CO., LTD (JP) 2001-04-03 US disclosed