SCHEMBL9508054

SCHEMBL9508054

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
RARB P10826 5/20 0.54
SRD5A2 P31213 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
MAPT P10636 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
SCHEMBL9509902 0.95 KMT2A (0.61) KMT2ARARBSRD5A2RXRARXRB
SCHEMBL9319143 0.89 KMT2A (0.69) KMT2ARARBSRD5A2RXRARXRB
SCHEMBL13928722 0.86 KMT2A (0.57) KMT2ARARBSRD5A2RXRARXRB
SCHEMBL13861911 0.84 MAPK1 (0.68) RARBSRD5A2MAPK1HSD17B10PKM
SCHEMBL9508656 0.83 RARB (0.58) KMT2ARARBMAPK1
SCHEMBL9507371 0.83 RARB (0.58) KMT2ARARBMAPK1
SCHEMBL9507432 0.83 RARB (0.52) KMT2ARARBSRD5A2RXRARXRB
SCHEMBL9507377 0.83 RARB (0.58) KMT2ARARBMAPK1
SCHEMBL9477903 0.82 RARB (0.61) KMT2ARARBPDE4APDE4BPDE4C
SCHEMBL11573867 0.81 KMT2A (0.59) KMT2ARARBSRD5A2RXRARXRB

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