SCHEMBL9876285

SCHEMBL9876285

CC(C)c1cccc2c(C(C)C)ccc-2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
TRPA1 O75762 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
HDAC4 P56524 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MDM4 O15151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL8635916 0.90 TRPA1 (0.46) RXRARXRBRXRGTRPA1CA1
SCHEMBL29727254 0.90 TRPA1 (0.46) RXRARXRBRXRGTRPA1CA1
SCHEMBL29068263 0.86 RXRA (0.45) RXRARXRBRXRGTRPA1CA1
SCHEMBL9171540 0.83 RXRA (0.42) RXRARXRBRXRGTRPA1CA1
SCHEMBL8675449 0.82 RXRA (0.45) RXRARXRBRXRGCA1CA2
SCHEMBL9177215 0.81 RXRA (0.50) RXRARXRBRXRGCA1CA2
SCHEMBL21508004 0.80 RXRA (0.41) RXRARXRBRXRGCA1CA2
SCHEMBL9875662 0.80 LMNA (0.55) RXRARXRBRXRGTRPA1CA1
SCHEMBL9875654 0.78 RXRA (0.53) RXRARXRBRXRGCA1CA2
SCHEMBL28243729 0.78 RXRA (0.45) RXRARXRBRXRGCA1CA2

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