SCHEMBL9507432

SCHEMBL9507432

CCCO[C@@H](C)CC[C@@H](C)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.52
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48
SRD5A2 P31213 1/20 0.46
PLA2G4B P0C869 6/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G4A P47712 1/20 0.43

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
SCHEMBL9508656 0.95 RARB (0.58) RARBKMT2AMAPK1PLA2G4BTP53
SCHEMBL9507377 0.95 RARB (0.58) RARBKMT2AMAPK1PLA2G4BTP53
SCHEMBL9507371 0.95 RARB (0.58) RARBKMT2AMAPK1PLA2G4BTP53
SCHEMBL9507818 0.91 RARB (0.65) RARBKMT2APLA2G4BTP53TSHR
SCHEMBL9507826 0.91 RARB (0.65) RARBKMT2APLA2G4BTP53TSHR
SCHEMBL13928722 0.87 KMT2A (0.57) RARBKMT2AMAPK1SRD5A2RXRA
SCHEMBL9319143 0.84 KMT2A (0.69) RARBKMT2AMAPK1SRD5A2PLA2G4B
SCHEMBL9477903 0.83 RARB (0.61) RARBKMT2APLA2G4BTP53TSHR
SCHEMBL9508054 0.83 KMT2A (0.56) RARBKMT2AMAPK1SRD5A2RXRA
SCHEMBL7995208 0.82 KMT2A (0.62) RARBKMT2AMAPK1SRD5A2PLA2G4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed