SCHEMBL5010802

SCHEMBL5010802

C[CH]c1c(-c2ccccc2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
CYP2A6 P11509 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.41
MAPT P10636 7/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MPI P34949 2/20 0.39
ERN1 O75460 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A1 P04798 1/20 0.38
HPRT1 P00492 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5013841 0.91 TNF (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5010129 0.81 L3MBTL1 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2354609 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL27912527 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3071898 0.81 ERN1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2783495 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5012412 0.78 L3MBTL1 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL16538613 0.77 KDM4E (0.55) ALDH1A1HSD17B10TSHRTDP1MAPT
SCHEMBL29278543 0.77 MAPT (0.40) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5008784 0.74 DNMT1 (0.38) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed