SCHEMBL27462001

SCHEMBL27462001

CNC1C=C(c2ccccc2)c2cc(C(=O)O)ccc2C1(NC)NC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.43
RARG P13631 7/20 0.43
RARA P10276 6/20 0.43
RXRA P19793 2/20 0.41
NR2E1 Q9Y466 1/20 0.41
PDK2 Q15119 1/20 0.38
TTR P02766 1/20 0.35
PTPRC P08575 2/20 0.35
KMO O15229 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.33
FABP1 P07148 1/20 0.33
P2RY14 Q15391 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL27479688 0.89 RARA (0.59) RARBRARGRARAALDH1A1KMT2A
SCHEMBL8771867 0.74 RARB (0.46) RARBRARGRARARXRANR2E1
SCHEMBL17275573 0.71 RARB (0.50) RARBRARGRARARXRANR2E1
SCHEMBL8771650 0.68 RARB (0.77) RARBRARGRARARXRANR2E1
SCHEMBL8771633 0.67 RARA (0.66) RARBRARGRARARXRANR2E1
SCHEMBL12365222 0.66 TDP1 (0.44) RARBRARGRARATTRPTPRC
SCHEMBL4653413 0.63 RARA (0.71) RARBRARGRARARXRANR2E1
SCHEMBL8149892 0.62 PTPRC (0.66) TTRPTPRCKMOALDH1A1KMT2A
SCHEMBL36018 0.62 TTR (0.62) TTRPTPRCKMOALDH1A1KMT2A
SCHEMBL8771689 0.62 PDK2 (0.49) RARBRARGRARARXRANR2E1

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-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed