SCHEMBL28054675

SCHEMBL28054675

CC(C)Oc1ccc2ncc(C(=O)O)c(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MCL1 Q07820 3/20 0.48
LMNA P02545 1/20 0.48
BCL2L1 Q07817 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.40
NMT1 P30419 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CSF1R P07333 1/20 0.40
TP53 P04637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6148137 0.86 LMNA (0.65) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL620760 0.85 ALDH1A1 (0.51) ALDH1A1MCL1LMNAKMT2AKDM4E
SCHEMBL618409 0.85 ALDH1A1 (0.51) ALDH1A1MCL1LMNAKMT2AKDM4E
SCHEMBL620385 0.83 NMT1 (0.53) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL28054743 0.81 HTT (0.51) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL4748370 0.81 MCL1 (0.48) MCL1LMNABCL2L1KMT2AHPGD
SCHEMBL11712521 0.80 LMNA (0.54) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL9654627 0.80 MCL1 (0.44) MCL1LMNAKMT2AKDM4EHPGD
SCHEMBL30067699 0.80 TP53 (0.54) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL7825840 0.80 TP53 (0.54) ALDH1A1LMNAKDM4EHPGDHSD17B10

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
CN-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 CN disclosed