SCHEMBL31406758

SCHEMBL31406758

CC(C)=CCCC(C)=CCCC(C)=CCNCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 2/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 5/20 0.59
KDM4E B2RXH2 1/20 0.55
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
PGGT1B P53609 1/20 0.53

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
SCHEMBL31406762 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL31406757 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2495182 0.98 KMT2A (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL15516075 0.90 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16892803 0.90 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16892784 0.90 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10445541 0.87 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10445540 0.87 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL15679542 0.85 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL30884955 0.85 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15

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
WO-2025053947-A1 SYNTHETIC TRITERPENES COMPOSITION, METHOD OF PRODUCTION AND APPLICATIONS THEREOF AVANTOR PERFORMANCE MATERIALS, LLC (US) 2025-03-13 WO claimed
WO-2025053947-A1 SYNTHETIC TRITERPENES COMPOSITION, METHOD OF PRODUCTION AND APPLICATIONS THEREOF AVANTOR PERFORMANCE MATERIALS, LLC (US) 2025-03-13 WO disclosed