SCHEMBL9303744

SCHEMBL9303744

CC(C)Oc1ccc(OCCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
PPARD Q03181 1/20 0.51
MCL1 Q07820 2/20 0.51
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.47
NSD2 O96028 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN11 Q06124 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9302989 0.97 ALDH1A1 (0.56) ALDH1A1PPARDMCL1KMT2AKDM4E
SCHEMBL9304482 0.89 PPARD (0.61) ALDH1A1PPARDKMT2AKDM4ENSD2
SCHEMBL1316975 0.87 ALDH1A1 (0.73) ALDH1A1MCL1KMT2AKDM4EHPGD
SCHEMBL9304314 0.86 PPARD (0.58) ALDH1A1PPARDKMT2A
SCHEMBL9190834 0.85 ALDH1A1 (0.47) ALDH1A1PPARDMCL1KMT2AKDM4E
SCHEMBL9191369 0.84 ALDH1A1 (0.46) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9305419 0.84 MCL1 (0.54) ALDH1A1PPARDMCL1KMT2AKDM4E
SCHEMBL9190943 0.84 ALDH1A1 (0.48) ALDH1A1MCL1KMT2AKDM4ENSD2
SCHEMBL9003750 0.82 ALDH1A1 (0.46) ALDH1A1MCL1KMT2AKDM4ESMN1; SMN2
SCHEMBL1576849 0.82 MCL1 (0.69) MCL1PTPN11

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-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed