SCHEMBL9518997

SCHEMBL9518997

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
GSK3B P49841 2/20 0.42
SRD5A2 P31213 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 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
SCHEMBL9518984 1.00 ALOX15 (0.47) ALOX15TSHRERCC5FEN1CYP19A1
SCHEMBL6489191 0.95 MAPT (0.43) ALOX15TSHRERCC5FEN1CYP19A1
SCHEMBL6489175 0.95 MAPT (0.43) ALOX15TSHRERCC5FEN1CYP19A1
SCHEMBL23934177 0.83 ALDH1A1 (0.47) ALOX15TSHRERCC5FEN1CYP19A1
SCHEMBL5491615 0.82 CES1 (0.50) ALOX15TSHRERCC5FEN1CYP19A1
SCHEMBL6497142 0.81 HTT (0.46) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL6497138 0.81 HTT (0.46) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL18143857 0.81 TPMT (0.47) ERCC5FEN1ALDH1A1GAAMAPT
SCHEMBL18143864 0.81 TPMT (0.47) ERCC5FEN1ALDH1A1GAAMAPT
SCHEMBL3250292 0.79 CA1 (0.53) CYP19A1POLBCES2CES1GSK3B

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