SCHEMBL6284367

SCHEMBL6284367

C=Cc1c(C)cccc1CCc1cccc(C)c1C=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL6280042 0.89 TAAR1 (0.36) TAAR1GPR84MAPTKMT2AALDH1A1
SCHEMBL27286804 0.88 CYP3A4 (0.38) TAAR1TSHR
SCHEMBL2775950 0.87 GABRA1 (0.43) TAAR1TP53TDP1GABRA1GABRB2
SCHEMBL16952835 0.83 PDXK (0.43) TAAR1GABRA1GABRB2CYP1A2CYP2A6
SCHEMBL672658 0.81 CYP2A6 (0.43) TP53TDP1CYP1A2CYP2A6ALDH1A1
SCHEMBL6285101 0.80 GABRA1 (0.44) TP53TDP1GABRA1GABRB2
SCHEMBL11829600 0.79 GABRA1 (0.36) TP53TDP1GABRA1GABRB2ESR1
SCHEMBL12802671 0.77 DAO (0.36) TP53TDP1GABRA1GABRB2DAO
SCHEMBL12802233 0.74 CYP3A4 (0.42) MAPT
SCHEMBL27304592 0.74 TAAR1 (0.35) TAAR1GABRA1GABRB2CYP1A2CYP2A6

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
US-6855952-B2 Semiconductor device and semiconductor package HITACHI, LTD. (JP) 2005-02-15 US disclosed
US-20040038021-A1 Semiconductor device and semiconductor package HITACHI, LTD. (JP) 2004-02-26 US disclosed