SCHEMBL27250095

SCHEMBL27250095

BCC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 11/20 0.65
▸ RXRB P28702 10/20 0.65
▸ RXRG P48443 10/20 0.65
▸ PTPN1 P18031 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CES2 O00748 2/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ MMP1 P03956 1/20 0.41
▸ CES1 P23141 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ ICMT O60725 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
SCHEMBL30989548 0.83 GSK3B (0.69) RXRARXRBRXRGPTPN1GSK3B
SCHEMBL7997819 0.82 PTPN1 (0.66) PTPN1GSK3BCES2MMP1CES1
SCHEMBL15744633 0.81 RXRA (0.71) RXRARXRBRXRGCES2CES1
SCHEMBL31492946 0.81 RXRA (0.61) RXRARXRBRXRGPTPN1GSK3B
SCHEMBL12819956 0.80 SMN1; SMN2 (0.50) PTPN1GSK3BMMP2MMP8
SCHEMBL23698041 0.79 RXRA (1.00) RXRARXRBRXRG
SCHEMBL28731633 0.78 RXRA (0.58) RXRARXRBRXRGPTPN1GSK3B
SCHEMBL12187543 0.75 CES2 (0.50) RXRARXRBRXRGCES2
SCHEMBL2389365 0.73 RXRA (0.65) RXRARXRBRXRG
SCHEMBL13247925 0.73 RXRA (0.59) RXRARXRBRXRG

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
WO-2024094566-A1 INDACENE AND AZAINDACENE COMPOUNDS AND HIGHER HOMOLOGUES AND THE USE THEREOF Credoxys GmbH (DE) 2024-05-10 — — WO disclosed
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