SCHEMBL9874684

SCHEMBL9874684

CC(C)c1cccc2c(-c3ccc(F)cc3)ccc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTGS2 P35354 2/20 0.42
PTPN5 P54829 2/20 0.40
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
PTGS1 P23219 1/20 0.39
JAK2 O60674 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 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
SCHEMBL9875654 0.85 RXRA (0.53) ATML3MBTL1RXRARXRBRXRG
SCHEMBL29359636 0.83 RXRA (0.59) ATML3MBTL1RXRARXRBRXRG
SCHEMBL13533360 0.83 RXRA (0.59) ATML3MBTL1RXRARXRBRXRG
SCHEMBL24726655 0.81 AKR1C3 (0.44) ATML3MBTL1RXRARXRBRXRG
SCHEMBL14707683 0.81 PTGS1 (0.46) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL9177215 0.81 RXRA (0.50) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL9876212 0.79 PTPN5 (0.44) L3MBTL1RXRARXRBRXRGPTPN5
SCHEMBL15340859 0.79 LMNA (0.43) ATML3MBTL1RXRARXRBRXRG
SCHEMBL9876152 0.79 RXRA (0.46) RXRARXRBRXRGPTPN5JAK2
SCHEMBL12570868 0.78 AKR1C3 (0.50) PTGS2PTGS1LMNACYP3A4MAPT

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