SCHEMBL3145472

SCHEMBL3145472

CC(=O)O/C=C1/CCCc2cc3ccccc3n21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
SIGMAR1 Q99720 7/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MCL1 Q07820 1/20 0.33
ALB P02768 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DAO P14920 1/20 0.31
TP53 P04637 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL3145492 1.00 NOTUM (0.44) NOTUMALDH1A1TSHRHTR2AHTR2C
SCHEMBL7278393 0.70 NOTUM (0.80) NOTUMALDH1A1TSHRHTR2AHTR2C
Acetic Acid SCHEMBL13279290 0.64 HTR2A (0.55) HTR2AHTR2CSIGMAR1
SCHEMBL21028083 0.63 NOTUM (0.43) NOTUMALDH1A1TSHRSIGMAR1
SCHEMBL9259627 0.63 NOTUM (1.00) NOTUMALDH1A1TSHRHTR2AHTR2C
SCHEMBL30615209 0.63 NOTUM (1.00) NOTUMALDH1A1TSHRHTR2AHTR2C
SCHEMBL8658423 0.60 HTR2A (0.43) NOTUMHTR2AHTR2CSIGMAR1
SCHEMBL28853394 0.59 DAO (0.41) NOTUMALDH1A1TSHRMAPTMCL1
SCHEMBL9658752 0.59 NOTUM (0.57) NOTUMALDH1A1TSHRHTR2AHTR2C
SCHEMBL7379739 0.59 NOTUM (0.62) NOTUMALDH1A1TSHRHTR2AHTR2C

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
EP-1449529-B1 Protein Kinase C Inhibitors LILLY CO ELI (US) 2010-01-27 EP disclosed