SCHEMBL2632843

SCHEMBL2632843

CCc1cccc(OCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NUDT1 P36639 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
BCHE P06276 1/20 0.42
KCNH2 Q12809 2/20 0.42
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GABRA5 P31644 1/20 0.40
GRM5 P41594 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
SCHEMBL2524154 0.85 L3MBTL1 (0.52) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL24754816 0.84 TRPV3 (0.57) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL226611 0.84 TRPV3 (0.51) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL30931690 0.83 TRPV3 (0.52) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL7840899 0.83 TRPV3 (0.59) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL23121539 0.83 TRPV3 (0.52) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL7832327 0.83 TRPV3 (0.52) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL17459263 0.80 MAOB (0.53) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL31375611 0.80 MAOB (0.53) TRPV3L3MBTL1MAPK1MAPTTDP1
SCHEMBL91372 0.80 MAOB (0.43) TRPV3MAPK1MAPTHTTMAOB

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-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed