SCHEMBL31633619

SCHEMBL31633619

CC1=Cc2ccc(C)cc2C1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PDK2 Q15119 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL31496408 0.75 CYP1A2 (0.36) CHRNB2CHRNA4TP53TDP1CYP1A2
SCHEMBL31453979 0.75 CYP1A2 (0.36) CHRNB2CHRNA4TP53TDP1CYP1A2
SCHEMBL31502575 0.75 CYP1A2 (0.36) CHRNB2CHRNA4TP53TDP1CYP1A2
SCHEMBL12629758 0.74 MAOA (0.37) TDP1KMT2AALDH1A1
SCHEMBL1452902 0.73 CHRNB2 (0.32) CHRNB2CHRNA4CYP1A2CYP2A6
SCHEMBL1452360 0.73 CHRNB2 (0.32) CHRNB2CHRNA4CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL31453980 0.73 CYP1A2 (0.34) CHRNB2CHRNA4TP53TDP1CYP1A2
SCHEMBL4652063 0.72 CHRNB2 (0.31) TRPA1CHRNB2CHRNA4CYP1A2CYP2A6
SCHEMBL1453816 0.72 CHRNB2 (0.31) CHRNB2CHRNA4CYP1A2CYP2A6
SCHEMBL1453955 0.72 NQO2 (0.31) CHRNB2CHRNA4CYP1A2CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192232-A Synthesis method of indenofloxacin intermediate 2, 6-dimethyl-indene amine 安徽省化工研究院 2025-06-24 CN claimed
CN-120192232-A Synthesis method of indenofloxacin intermediate 2, 6-dimethyl-indene amine 安徽省化工研究院 2025-06-24 CN disclosed