SCHEMBL9708883

SCHEMBL9708883

O=C(O)c1cccc(C(=O)CBr)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALB P02768 1/20 0.52
MMP2 P08253 1/20 0.52
PTPN1 P18031 4/20 0.52
HMGB1 P09429 2/20 0.49
HNF4A P41235 1/20 0.48
GSK3B P49841 2/20 0.47
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 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
SCHEMBL1272896 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL110532 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL8436637 0.82 HNF4A (0.55) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL31519376 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL1893853 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10PTPN1
SCHEMBL1582462 0.81 HNF4A (0.63) ALDH1A1KDM4EHPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL28210457 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL28094410 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10ALB
Methane SCHEMBL28154128 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL4401024 0.80 ALB (0.57) ALDH1A1KDM4EHPGDHSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033274-B Zwitterionic copolymer film material and preparation method thereof 华东理工大学 2020-02-28 CN claimed
EP-0471364-A2 Homopolymers and copolymers of cyclic esters of salicylic acid ETHICON, INC. (US) 1992-02-19 EP disclosed
US-5082925-A Surgical devices, polyesters ETHICON, INC. (US) 1992-01-21 US disclosed
EP-0259159-A2 Method for the preparation of alpha1- [[(1,1-Dimethylethyl) amino] methyl]-4-hydroxy-1,3-benzenedimethanol, and intermediates used in its preparation SCHERING CORPORATION (US) 1988-03-09 EP disclosed