SCHEMBL29955463

SCHEMBL29955463

O=Cc1c(O)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
HMGB1 P09429 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
G6PD P11413 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
ALOX15 P16050 1/20 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
SCHEMBL4985110 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDCA12CA1
Benzene SCHEMBL28172839 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL11718261 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL29951147 0.82 KDM4E (0.57) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL22431477 0.82 FNTA (0.53) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL7088879 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL4594882 0.81 AKR1C3 (0.50) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL17740051 0.81 SELL (0.50) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL31094252 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL7828026 0.80 ERN1 (0.51) ALDH1A1KDM4EHPGDCA12CA1

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-120115188-A Vanadium-based catalyst, preparation method thereof and application thereof in catalyzing oxidation of 5-hydroxymethylfurfural to prepare 2, 5-diformylfuran 中国科学院大连化学物理研究所 2025-06-10 CN claimed
CN-120115188-A Vanadium-based catalyst, preparation method thereof and application thereof in catalyzing oxidation of 5-hydroxymethylfurfural to prepare 2, 5-diformylfuran 中国科学院大连化学物理研究所 2025-06-10 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed