SCHEMBL29045374

SCHEMBL29045374

OC[C@@H](O)[C@]1(O)C(c2ccccc2)[C@@]1(O)[C@@H](O)CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
ABCB1 P08183 2/20 0.35
PTGS2 P35354 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNA7 P36544 1/20 0.32
LMNA P02545 2/20 0.31
TRPA1 O75762 1/20 0.31
TSHR P16473 2/20 0.30
CYP1A2 P05177 2/20 0.30
KDM4E B2RXH2 1/20 0.30
AGTR1 P30556 1/20 0.30
SLC18A3 Q16572 1/20 0.30
GSR P00390 1/20 0.30

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
SCHEMBL2481273 0.79 ABCB1 (0.34) KDM1AABCB1
SCHEMBL2353574 0.74 ABCB1 (0.33) KDM1AABCB1
SCHEMBL813668 0.74 KDM1A (0.32) KDM1AABCB1ALDH1A1
SCHEMBL813409 0.74 KDM1A (0.32) KDM1AABCB1ALDH1A1
SCHEMBL812863 0.73 ABCB1 (0.33) ABCB1
SCHEMBL4205758 0.72 KDM4E (0.31) CYP1A2KDM4E
SCHEMBL9489237 0.70 KDM1A (0.44) KDM1AABCB1PTGS2ALDH1A1CHRNA7
SCHEMBL8588384 0.61 CHRNA7 (0.35) KDM1ACHRNA7LMNATRPA1TSHR
SCHEMBL30502406 0.60 ABCB1 (0.42) KDM1AABCB1ALDH1A1CHRNA7LMNA
SCHEMBL148756 0.58 TRPA1 (0.48) LMNATRPA1TSHRCYP1A2KDM4E

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-116323779-A Additive composition, resin composition, method for producing resin composition, and molded article 株式会社ADEKA 2023-06-23 CN disclosed