SCHEMBL3075780

SCHEMBL3075780

CCCc1ccccc1N(O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
LIPG Q9Y5X9 1/20 0.37
ADRA2B P18089 5/20 0.36
ADRA2C P18825 5/20 0.36
ADRA2A P08913 4/20 0.36
PTPN1 P18031 2/20 0.34
DAO P14920 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 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
SCHEMBL30965314 1.00 HTR1A (0.40) HTR1ALIPGADRA2BADRA2CADRA2A
SCHEMBL14840110 0.82 HTR1A (0.38) HTR1ALIPGADRA2BADRA2CADRA2A
SCHEMBL154994 0.82 GABRA1 (0.46) GABRA1GABRB2TP53
SCHEMBL29484238 0.82 GABRA1 (0.46) GABRA1GABRB2TP53
SCHEMBL6420986 0.82 DAO (0.35) HTR1ALIPGADRA2BADRA2CADRA2A
SCHEMBL4193410 0.82 DAO (0.35) HTR1ALIPGADRA2BADRA2CADRA2A
Methyl Alcohol SCHEMBL27288509 0.81 GAA (0.41) HTR1ALIPGADRA2BADRA2CADRA2A
SCHEMBL11141575 0.80 TP53 (0.40) HTR1ALIPGADRA2BADRA2CADRA2A
SCHEMBL4177423 0.80 HTR1A (0.36) HTR1ADAOGABRA1GABRB2PPARG
SCHEMBL14840157 0.80 HTR1A (0.37) HTR1ALIPGADRA2BADRA2CADRA2A

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-20100218953-A1 USE OF A FLUID COMPOSITION WITH DELAYED CROSS-LINKING FOR HOLDING A CASING INSIDE A DRILL HOLE AND METHOD FOR REINFORCING A DRILL HOLE TOTALENERGIES ONETECH (FR) 2010-09-02 US disclosed