SCHEMBL27250302

SCHEMBL27250302

Cc1cc(C(=O)CCC(=O)c2cc(C(F)(F)F)c(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CTNNB1 P35222 8/20 0.35
▸ WNT3A P56704 8/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ P2RX1 P51575 1/20 0.32

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
SCHEMBL30989536 0.89 MMP1 (0.43) MMP1THRATHRBALOX5PTGS1
SCHEMBL20914845 0.81 TPMT (0.42) KIF11
SCHEMBL4085923 0.75 KMT2A (0.53) KMT2ACYP1A2CYP2C19MEN1
SCHEMBL27250295 0.75 GSK3B (0.56) CES2MAPT
SCHEMBL27250293 0.72 KIF11 (0.51) KIF11CES2
SCHEMBL13550130 0.72 RAPGEF4 (0.38) CES2P2RX1
SCHEMBL9861093 0.71 ALOX5 (0.65) THRATHRBALOX5PTGS1PTGS2
SCHEMBL30989543 0.70 CES2 (0.64) MMP1CTNNB1WNT3ACES2P2RX1
SCHEMBL16284312 0.70 KMT2A (0.39) THRATHRBPTGS1KMT2ACYP1A2
SCHEMBL27250053 0.69 CES2 (0.52) MMP1CTNNB1WNT3ACES2MAPT

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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