SCHEMBL24779796

SCHEMBL24779796

CCCSc1ccccc1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.42
▸ RIPK1 Q13546 2/20 0.40
▸ HTR7 P34969 3/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ PDE5A O76074 1/20 0.35
▸ SOAT1 P35610 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ APLNR P35414 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL25744603 0.85 RIPK1 (0.42) RIPK1DDR1ALDH1A1APOBEC3G
SCHEMBL16844673 0.80 PTGS2 (0.51) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL10350653 0.77 PTGS2 (0.55) PTGS2HTR7PDE5ASOAT1ALDH1A1
SCHEMBL30548746 0.77 PTGS2 (0.55) PTGS2HTR7PDE5ASOAT1ALDH1A1
SCHEMBL9210463 0.77 PTGS2 (0.45) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL26942237 0.77 APOBEC3G (0.57) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL13402025 0.76 CHRM2 (0.46) RIPK1HTR7CHRM4ALDH1A1APOBEC3G
SCHEMBL6685097 0.72 RIPK1 (0.56) RIPK1
SCHEMBL3628525 0.70 MEN1 (0.54) PTGS2PDE5ASOAT1ALDH1A1APOBEC3G
SCHEMBL10144088 0.70 PTGS2 (0.49) PTGS2HTR7PDE5ASOAT1ALDH1A1

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
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
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