SCHEMBL31536868

SCHEMBL31536868

Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(/C=C/CO)OC=C2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 1.00
▸ KMT2A Q03164 8/20 1.00
▸ MAPT P10636 8/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ RECQL P46063 4/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ POLB P06746 3/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ POLD1 P28340 2/20 0.48
▸ POLN Q7Z5Q5 2/20 0.48
▸ POLK Q9UBT6 2/20 0.48
▸ POLG P54098 2/20 0.46

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
SCHEMBL29664093 0.90 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL29711438 0.69 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL30354677 0.68 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1TDP1
Orsellinic Acid, Ethyl Ester SCHEMBL1648471 0.57 CYP3A4 (1.00) MEN1KMT2AALDH1A1TDP1KDM4E
Methyl Orsellinate SCHEMBL370816 0.57 CYP3A4 (1.00) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL8987414 0.56 CYP3A4 (0.53) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL10722726 0.55 CYP3A4 (0.81) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1129358 0.54 CYP3A4 (0.57) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL22799252 0.54 CYP3A4 (0.66) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL7766611 0.53 CYP3A4 (0.72) MEN1KMT2AMAPTALDH1A1TDP1

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-2025059358-A1 FUNGAL STRAINS HAVING REDUCED OR ELIMINATED MYCOTOXIN, ETHANOL, AND/OR PIGMENT PRODUCTION CAPACITY THE FYNDER GROUP, INC. (US) 2025-03-20 — — WO disclosed
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