SCHEMBL9478552

SCHEMBL9478552

Cc1ccc2c(CCl)c(C)ccc2c1CCl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL31633434 0.85 L3MBTL1 (0.35) PON1L3MBTL1CYP3A4TSHRCYP1A2
SCHEMBL9164079 0.85 L3MBTL1 (0.35) PON1L3MBTL1CYP3A4TSHRCYP1A2
SCHEMBL20669647 0.79 ALDH1A1 (0.53) PON1L3MBTL1ALDH1A1CYP3A4HPGD
SCHEMBL21865896 0.78 PON1 (0.36) PON1L3MBTL1TSHRCYP1A2
SCHEMBL706356 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL19798979 0.76 MAPT (0.41) L3MBTL1ALDH1A1TDP1CYP1A2
SCHEMBL13146014 0.75 CYP2A6 (0.48) L3MBTL1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL459954 0.74 CYP2A6 (0.43) L3MBTL1ALDH1A1TSHRTDP1CYP1A2
SCHEMBL18231882 0.74 HTR2A (0.33)
SCHEMBL6620901 0.74 L3MBTL1 (0.48) L3MBTL1ALDH1A1HPGDTSHRHSD17B10

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
JP-5117202-A None JP disclosed
JP-H05117202-A PRODUCTION OF 1,2,5,6-NAPHTHALENETETRACARBOXYLIC ACID COSMO SOGO KENKYUSHO:KK 1993-05-14 JP disclosed