SCHEMBL9875663

SCHEMBL9875663

CCc1cc2cc(C(C)C)cccc-2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL9618739 0.79 RXRA (0.46) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL9876293 0.76 CTSS (0.41) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL18430840 0.74 CTSA (0.46) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL9876063 0.73 GCGR (0.37) CTSSCTSK
SCHEMBL9876192 0.73 GCGR (0.37) CTSSCTSK
SCHEMBL9876431 0.73 GCGR (0.37) CTSSCTSK
SCHEMBL9876406 0.73 GCGR (0.37) CTSSCTSK
SCHEMBL9876214 0.73 GCGR (0.37) CTSSCTSK
SCHEMBL10416095 0.72 RXRA (0.46) RXRARXRBRXRGHDAC4HDAC8
SCHEMBL9876281 0.71 CTSS (0.40) RXRARXRBRXRGHDAC4HDAC8

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed