SCHEMBL27320205

SCHEMBL27320205

O=C(O)c1ccccc1OCc1ccccc1O.[Mn]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
KMT2A Q03164 3/20 0.54
PTK2B Q14289 1/20 0.54
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
FOLH1 Q04609 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
MCL1 Q07820 2/20 0.49
APEX1 P27695 1/20 0.49
HMGB1 P09429 2/20 0.48
NAPRT Q6XQN6 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL38459 0.98 ALDH1A1 (0.69) ALDH1A1HTTTP53KMT2APTK2B
SCHEMBL27344933 0.97 ALDH1A1 (0.68) ALDH1A1HTTTP53KMT2APTK2B
Salicylic Acid SCHEMBL31052931 0.95 ALDH1A1 (0.66) ALDH1A1HTTTP53KMT2APTK2B
Salicylic Acid SCHEMBL30476656 0.95 ALDH1A1 (0.66) ALDH1A1HTTTP53KMT2APTK2B
Salicylic Acid SCHEMBL3879225 0.90 ALDH1A1 (0.59) ALDH1A1HTTTP53KMT2APTK2B
Salicylamide SCHEMBL28057428 0.90 ALDH1A1 (0.59) ALDH1A1HTTTP53KMT2APTK2B
SCHEMBL2467710 0.90 KDM4E (0.66) ALDH1A1HTTTP53KMT2APTK2B
SCHEMBL27914372 0.86 ALDH1A1 (0.56) ALDH1A1HTTTP53KMT2APTK2B
SCHEMBL14735475 0.84 ALDH1A1 (0.52) ALDH1A1HTTTP53KMT2AFOLH1
SCHEMBL11792088 0.84 ALDH1A1 (0.51) ALDH1A1HTTTP53KMT2AKDM4E

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
CN-1121727-A Copolyester of cyclohexanedimethanol and process for producing such polyester EASTMAN CHEM CO (US) 1996-05-01 CN disclosed
CN-1047510-A The preparation of polyethylene terephthalate AMOCO CORP (US) 1990-12-05 CN disclosed