SCHEMBL9860302

SCHEMBL9860302

C=CCc1ccc(OC(=O)/C=C\C(=O)Oc2ccc(CC=C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
THRB P10828 2/20 0.50
PTGS1 P23219 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
XDH P47989 1/20 0.41
POLB P06746 1/20 0.41
MMP2 P08253 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL9861011 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL311913 0.89 THRB (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL978551 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7157961 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL16340149 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9566622 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL11362243 0.83 KMT2A (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10823711 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL797506 0.83 SMN1; SMN2 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL3420088 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US disclosed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP disclosed
US-4308180-A TIRE TREADS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-29 US disclosed