SCHEMBL9518987

SCHEMBL9518987

CCOC(=O)C=C(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
PTGS1 P23219 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 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
SCHEMBL6489181 0.95 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1L3MBTL1TSHRABCB11
SCHEMBL6489187 0.95 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1L3MBTL1TSHRABCB11
SCHEMBL6822506 0.95 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1L3MBTL1TSHRABCB11
SCHEMBL14499482 0.86 MAPT (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL26845457 0.86 MAPT (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL12883157 0.86 MAPT (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL3268819 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1TSHRABCB11
SCHEMBL5694711 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL14131630 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL9472778 0.85 ESR1 (0.58) SMN1; SMN2ALDH1A1L3MBTL1TSHRCYP1A2

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed