SCHEMBL30620175

SCHEMBL30620175

O=C(O)c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
ALOX15 P16050 1/20 0.68
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX12 P18054 1/20 0.63
MAPT P10636 2/20 0.59
MYC P01106 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
FOLH1 Q04609 2/20 0.57
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HMGB1 P09429 1/20 0.56
HPGD P15428 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL2830888 1.00 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL36145 0.97 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL30028907 0.97 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL9636797 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL1681943 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL19307791 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL7579852 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
Hydrochloric Acid SCHEMBL10888462 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL28408894 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12
SCHEMBL27760613 0.94 ALDH1A1 (0.68) ALDH1A1ALOX15CYP3A4CYP2C9ALOX12

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
CN-117003713-B Biomass epoxy monomer and biomass high-heat-resistance self-repairing epoxy resin 苏州大学 2024-05-28 CN claimed
CN-117003713-B Biomass epoxy monomer and biomass high-heat-resistance self-repairing epoxy resin 苏州大学 2024-05-28 CN disclosed
CN-117003713-A Biomass epoxy monomer and biomass high-heat-resistance self-repairing epoxy resin 苏州大学 2023-11-07 CN disclosed