SCHEMBL9647397

SCHEMBL9647397

CCCCCCCCOc1ccc(C(=O)O)c(-c2ccc(OC[C@@H](C)CC)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.58
RARB P10826 4/20 0.52
PLA2G4B P0C869 3/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MCL1 Q07820 1/20 0.48
RARA P10276 1/20 0.47
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8018495 0.91 PTPN11 (0.58) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL7778272 0.91 PTPN11 (0.58) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL7778275 0.91 PTPN11 (0.58) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL7875556 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL9486054 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL9485471 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL10340811 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL9485538 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL9640138 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR
SCHEMBL9485391 0.89 PTPN11 (0.70) PTPN11RARBPLA2G4BTP53TSHR

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-0244129-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1992-11-11 EP disclosed
US-4880561-A Optically active compound and liquid crystalline composition AJINOMOTO CO., INC. (JP) 1989-11-14 US disclosed