SCHEMBL9468429

SCHEMBL9468429

O=C(CCCCCCCCC(=O)OC(=O)c1ccccc1C(=O)O)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.41
TSHR P16473 4/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL5523432 0.98 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2AKDM4EMEN1
SCHEMBL28184164 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2AKDM4EMEN1
SCHEMBL27533156 0.93 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AKDM4EMEN1
SCHEMBL27792311 0.92 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL27382482 0.92 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL28172944 0.92 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL27472864 0.92 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL11064651 0.92 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL27520273 0.92 ALDH1A1 (0.46) ALDH1A1ALOX15KMT2AKDM4EMEN1
SCHEMBL28732800 0.91 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244982-A Organometallic alcoholate of tin, lead, bismuth or antimony CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1993-09-14 US disclosed