SCHEMBL9190834

SCHEMBL9190834

CC(C)Oc1ccc(S(=O)(=O)CCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MCL1 Q07820 5/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCL2L1 Q07817 3/20 0.39
PPARD Q03181 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
SCHEMBL9191369 0.97 ALDH1A1 (0.46) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9190943 0.94 ALDH1A1 (0.48) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9189859 0.91 ALDH1A1 (0.47) ALDH1A1MCL1KMT2ABCL2L1PPARD
SCHEMBL9186818 0.88 MAOB (0.46) ALDH1A1MCL1BCL2L1PPARD
SCHEMBL9186772 0.87 HTT (0.52) ALDH1A1MCL1KMT2AKDM4ESMN1; SMN2
SCHEMBL9185774 0.87 ALDH1A1 (0.48) ALDH1A1MCL1KMT2AKDM4EMMP1
SCHEMBL9187998 0.86 MCL1 (0.48) ALDH1A1MCL1KMT2AKDM4EMMP1
SCHEMBL9302989 0.85 ALDH1A1 (0.56) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9303744 0.85 ALDH1A1 (0.56) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9187065 0.85 ALDH1A1 (0.48) ALDH1A1MCL1KMT2AHSD17B10BCL2L1

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-0403833-B1 Recording material NEW OJI PAPER CO LTD (JP) 1995-09-27 EP disclosed
US-5094999-A Salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-10 US disclosed