SCHEMBL31473053

SCHEMBL31473053

O=Cc1ccc2cc(O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 2/20 0.58
ABAT P80404 2/20 0.58
KDM4E B2RXH2 1/20 0.52
PTGS2 P35354 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 2/20 0.50
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 4/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
RRM1 P23921 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL658295 1.00 ALDH5A1 (0.58) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL29794356 1.00 ALDH5A1 (0.58) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL19066455 0.96 ALDH5A1 (0.54) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL3074283 0.93 ALDH5A1 (0.56) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL10331765 0.92 ESR1 (0.61) ALDH5A1ABATCYP1A2ESR1ESR2
Dimethyl Sulfoxide SCHEMBL28189523 0.89 ALDH5A1 (0.47) ALDH5A1ABATKDM4EPTGS2RAB9A
Dioxane SCHEMBL12004584 0.89 ALDH5A1 (0.47) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL10331762 0.86 PTGS1 (0.45) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL977774 0.85 CYP2A6 (0.54) ALDH5A1ABATKDM4EPTGS2RAB9A
SCHEMBL12004582 0.84 ALDH5A1 (0.42) ALDH5A1ABATKDM4EPTGS2RAB9A

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
CN-119735763-A Temperature-resistant oil well cement fluid loss agent and preparation method thereof 东营丰信石油科技有限公司 2025-04-01 CN disclosed