SCHEMBL9876346

SCHEMBL9876346

CC(C)c1cccc2c(-c3cccc(Br)c3)ccc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PTPN5 P54829 2/20 0.39
NR4A2 P43354 1/20 0.39
MAOB P27338 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37

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
SCHEMBL25914832 0.87 RXRA (0.51) RXRARXRBRXRGPTPN5NPC1
SCHEMBL9875654 0.84 RXRA (0.53) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9177215 0.83 RXRA (0.50) RXRARXRBRXRGBRD4CREBBP
SCHEMBL9876152 0.81 RXRA (0.46) RXRARXRBRXRGBRD4CREBBP
SCHEMBL29427056 0.79 ALDH1A1 (0.48) RXRARXRBRXRGNPC1RAB9A
SCHEMBL135394 0.79 ALDH1A1 (0.48) RXRARXRBRXRGNPC1RAB9A
SCHEMBL31232577 0.79 ALDH1A1 (0.52) RXRARXRBRXRGBRD4CREBBP
SCHEMBL25906297 0.79 ALDH1A1 (0.52) RXRARXRBRXRGBRD4CREBBP
SCHEMBL25906400 0.78 RXRA (0.59) RXRARXRBRXRGPTPN5NR4A2
SCHEMBL9874684 0.77 ATM (0.44) RXRARXRBRXRGBRD4CREBBP

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