SCHEMBL9326643

SCHEMBL9326643

C=CCc1ccc(OP(O)Oc2ccc(CC=C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
XDH P47989 1/20 0.42
MAPT P10636 5/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL11499400 0.93 ALDH1A1 (0.50) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL1160217 0.88 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL3432029 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9352993 0.76 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL437832 0.76 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL88416 0.76 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL7816450 0.75 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL5496256 0.75 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL173301 0.75 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL3744646 0.74 ALDH1A1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375324-B1 Production of phosphorothioate salts ETHYL PETROLEUM ADDITIVES LTD (GB) 1994-02-02 EP disclosed
US-5210261-A Antiwear additives for lubricants; reacting sulfur, amine, phosphite ester ETHYL PETROLEUM ADDITIVES, LTD. (GB) 1993-05-11 US disclosed
EP-0375324-A1 Production of phosphorothioate salts ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1990-06-27 EP disclosed