SCHEMBL30989528

SCHEMBL30989528

O=C(CCC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.40
▸ CES2 O00748 2/20 0.39
▸ CTNNB1 P35222 6/20 0.38
▸ WNT3A P56704 6/20 0.38
▸ GPBAR1 Q8TDU6 4/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34

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
SCHEMBL30989531 1.00 MMP1 (0.40) MMP1CES2CTNNB1WNT3AGPBAR1
SCHEMBL27250198 0.89 HSP90AA1 (0.43) MMP1GPBAR1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL30989557 0.84 GSK3B (0.52) CES2GPBAR1CNR2P2RX7ALDH1A1
SCHEMBL12098246 0.78 ALOX15 (0.48) CES2RXRARXRB
SCHEMBL30989543 0.78 CES2 (0.64) MMP1CES2CTNNB1WNT3AGAA
SCHEMBL30989545 0.77 CA5A (0.43) CES2GPBAR1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL30238177 0.77 CDK8 (0.43) CES2GPBAR1P2RX7ALDH1A1HSP90AA1
SCHEMBL15516575 0.71 HSP90AA1 (0.42) CES2GPBAR1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL30989536 0.71 MMP1 (0.43) MMP1CES2CTNNB1WNT3A
SCHEMBL24746798 0.69 MEN1 (0.35) CES2GPBAR1HSP90AA1HSP90AB1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634187-A1 INDACENE AND AZAINDACENE COMPOUNDS AND HIGHER HOMOLOGUES AND THE USE THEREOF Credoxys GmbH (DE) 2025-10-22 — — EP disclosed
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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