SCHEMBL10606809

SCHEMBL10606809

CCC([O])c1cccc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.47
CASR P41180 1/20 0.47
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6637800 0.86 LOXL2 (0.50) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL20032090 0.85 LOXL2 (0.53) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL5662355 0.84 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL28346938 0.84 HDAC4 (0.51) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL1787505 0.84 HDAC4 (0.51) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL6934024 0.83 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL14231684 0.83 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL10277654 0.83 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL11229041 0.81 TSHR (0.52) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1
SCHEMBL935780 0.81 TSHR (0.52) LOXL2CYP4F2CYP4A11SLC7A5ALDH1A1

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-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed