SCHEMBL7770050

SCHEMBL7770050

COC(=O)/C=C/c1cc(Cl)ccc1C(=O)O.O=C(O)/C=C/c1cc(Cl)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 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
SCHEMBL7068587 0.96 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7068592 0.96 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7069945 0.88 TSHR (0.53) MAPTALDH1A1KDM4ETP53PLA2G1B
SCHEMBL7069948 0.88 TSHR (0.53) MAPTALDH1A1KDM4ETP53PLA2G1B
SCHEMBL7071709 0.84 ABL1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1196433 0.84 ABL1 (0.54) MAPTALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL7071713 0.84 ABL1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1196428 0.84 ABL1 (0.54) MAPTALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL7071396 0.80 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7071660 0.80 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E

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-1105367-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS Bayer Aktiengesellschaft (DE) 2001-06-13 EP disclosed
WO-2000010963-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed