SCHEMBL31276141

SCHEMBL31276141

O=C(O)C(C(=O)O)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNN4 O15554 4/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL27785770 0.80 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL10693921 0.80 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL27533406 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL21268875 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL28315789 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL28315725 0.78 KMT2A (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
Hydrochloric Acid SCHEMBL11304473 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL21269792 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL21269305 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL28315623 0.78 MAPT (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR

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-113754983-B Resin composition 旭化成株式会社 2024-12-06 CN disclosed