SCHEMBL27310596

SCHEMBL27310596

CC[C@@H](C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
MAPK1 P28482 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MAPT P10636 2/20 0.51
PLA2G4B P0C869 3/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
SRD5A2 P31213 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RARB P10826 1/20 0.46
PKM P14618 1/20 0.46
PARP10 Q53GL7 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
SCHEMBL948362 1.00 KMT2A (0.67) KMT2AMAPK1CA1CA2MAPT
SCHEMBL4684533 1.00 KMT2A (0.67) KMT2AMAPK1CA1CA2MAPT
SCHEMBL9319143 0.87 KMT2A (0.69) KMT2AMAPK1CA1CA2PLA2G4B
SCHEMBL8081873 0.86 KDM4E (0.60) KMT2AMAPK1MAPTPLA2G4BTP53
SCHEMBL7995208 0.86 KMT2A (0.62) KMT2AMAPK1CA1CA2MAPT
SCHEMBL10476865 0.86 KMT2A (0.62) KMT2AMAPK1CA1CA2MAPT
SCHEMBL31664473 0.85 MAPT (0.53) KMT2AMAPTALDH1A1PARP10
SCHEMBL15971723 0.85 KMT2A (0.67) KMT2AMAPK1CA1CA2PLA2G4B
Hydrochloric Acid SCHEMBL10453860 0.84 KMT2A (0.61) KMT2AMAPK1CA1CA2MAPT
SCHEMBL8681272 0.84 KMT2A (0.46) KMT2AMAPTTP53ALDH1A1PARP10

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-1031709-A OPTICALLY ACTIVE LIQUID CRYSTAL COMPONENTS HOFFMANN LA ROCHE (CH) 1989-03-15 CN disclosed