SCHEMBL24714975

SCHEMBL24714975

CCCOc1ccc(OCC(O)CC(C)(C)Oc2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
TDP1 Q9NUW8 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PLA2G4B P0C869 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23837201 0.84 KMT2A (0.55) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL19245611 0.84 KMT2A (0.60) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL22106293 0.84 KMT2A (0.60) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL18473690 0.82 KMT2A (0.57) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL19017517 0.82 KMT2A (0.57) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL21892837 0.80 SMN1; SMN2 (0.45) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL13464372 0.80 TP53 (0.41) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL22201865 0.79 PPARG (0.38) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL10836633 0.78 ALDH1A1 (0.62) ALDH1A1TP53TSHRHPGDMEN1
SCHEMBL17011978 0.78 TP53 (0.45) ALDH1A1TP53TSHRHPGDMEN1

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-2022255231-A1 MODIFIED EPOXY RESIN, RESIN COMPOSITION, CURED PRODUCT, LAMINATE FOR ELECTRIC/ELECTRONIC CIRCUITS, AND MODIFIED EPOXY RESIN PRODUCTION METHOD 日鉄ケミカル&マテリアル株式会社 2022-12-08 WO disclosed