SCHEMBL9201464

SCHEMBL9201464

C=CCOc1ccc(C(=O)C=Cc2cc(C)cc(OC)c2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.62
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KRAS P01116 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
TNFRSF1A P19438 1/20 0.49
DPP4 P27487 2/20 0.47

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
SCHEMBL7185693 0.84 ALOX5 (0.65) PTPN1ALDH1A1LMNAABCG2
SCHEMBL7186131 0.84 ALOX5 (0.65) PTPN1ALDH1A1LMNAABCG2
SCHEMBL9115187 0.83 PTPN1 (0.60) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL9115195 0.83 PTPN1 (0.60) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7192296 0.82 PTPN1 (0.64) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7192300 0.82 PTPN1 (0.64) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7187135 0.82 PTPN1 (0.70) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL7192619 0.82 PTPN1 (0.70) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL7184798 0.82 TNFRSF1A (0.74) PTPN1KDM4EALDH1A1LMNAMAPT
SCHEMBL7177833 0.82 TNFRSF1A (0.74) PTPN1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed