SCHEMBL29809804

SCHEMBL29809804

CC(C=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.57
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MMP9 P14780 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ADRA2A P08913 3/20 0.41
▸ ADRA2B P18089 3/20 0.41
▸ ADRA2C P18825 3/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL1663207 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL10381408 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL29594785 0.92 UGT2B7 (0.43) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11801547 0.90 TYR (0.44) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11743708 0.86 TYR (0.44) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11744081 0.83 ESR1 (0.46) UGT2B7
SCHEMBL25455654 0.82 CYP2A6 (0.50) UGT2B7CYP1A2TSHRCYP2A6TDP1
SCHEMBL11747502 0.82 CYP2A6 (0.50) UGT2B7CYP1A2TSHRCYP2A6TDP1
SCHEMBL10650252 0.82 UGT2B7 (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL11704205 0.81 AKR1B1 (0.62) UGT2B7MEN1KMT2ACYP1A2HIF1A

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-113651681-B Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2022-07-22 — — CN disclosed
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