SCHEMBL31099296

SCHEMBL31099296

CCCCCCOc1c(-c2nnnc(-c3ccccc3)c2OC)ccc(CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.45
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 3/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27982523 0.88 SOAT1 (0.46) SOAT1PTPN1PTPN11MEN1CYP1A2
SCHEMBL28296116 0.79 SOAT1 (0.40) SOAT1
SCHEMBL64304 0.79 SOAT1 (0.40) SOAT1
SCHEMBL491259 0.79 SOAT1 (0.41) SOAT1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL27875105 0.78 SOAT1 (0.50) SOAT1PTPN11MEN1CYP1A2CYP3A4
SCHEMBL27636178 0.78 SOAT1 (0.50) SOAT1PTPN11MEN1CYP1A2CYP3A4
SCHEMBL30364372 0.77 SOAT1 (0.39) SOAT1PTPN11
SCHEMBL1697183 0.76 SOAT1 (0.51) SOAT1PTPN1MEN1CYP1A2CYP3A4
Guaiacol SCHEMBL29291130 0.76 SOAT1 (0.37) SOAT1
SCHEMBL6399457 0.76 SOAT1 (0.37) SOAT1PTPN1PTPN11CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676432-A1 NATURAL COSMETIC COMPOSITION BASF SE (DE) 2026-01-14 EP disclosed
WO-2025261968-A1 ALKYLESTER OF ANDIROBA OIL BASF SE (DE) 2025-12-26 WO disclosed
WO-2024188795-A1 NATURAL COSMETIC COMPOSITION BASF SE (DE) 2024-09-19 WO disclosed