SCHEMBL27849720

SCHEMBL27849720

Cc1cc(Cl)cc(C)c1C(Cl)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TPMT P51580 1/20 0.32
CES1 P23141 1/20 0.32
DAO P14920 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
MAPK1 P28482 2/20 0.30
ALB P02768 1/20 0.30
SCN4A P35499 2/20 0.30
NOTUM Q6P988 1/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30

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
SCHEMBL27841663 0.85 ALDH1A1 (0.35) TSHRTPMT
SCHEMBL918916 0.75 TSHR (0.42) TSHRHTR2AHTR2CHTR2BMAPK1
SCHEMBL14335016 0.72 POLB (0.37) TSHRHTR2AHTR2CHTR2BTPMT
SCHEMBL8820615 0.71 TPMT (0.41) TSHRTPMTMAPK1
SCHEMBL13453368 0.70
SCHEMBL19126691 0.69 GABRA1 (0.39) TSHRHTR2AHTR2CHTR2BCES1
SCHEMBL28066512 0.68 GRM1 (0.31)
SCHEMBL10073283 0.67 GABRA1 (0.42) TSHRHTR2AHTR2CHTR2BCES1
SCHEMBL7289944 0.67 KDM4E (0.38) TSHRTPMT
SCHEMBL5729444 0.66 TSHR (0.35) TSHRHTR2AHTR2CHTR2BMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103002740-B Pesticidal combination 先正达参股股份有限公司 2016-11-09 CN disclosed
CN-103002731-B Pesticidal combination SYNGENTA PARTICIPATIONS AG (CH) 2015-12-02 CN disclosed
CN-103002739-B Methods for controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG (CH) 2015-09-09 CN disclosed
CN-103002731-A Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2013-03-27 CN disclosed
CN-103002741-A Method of crop enhancement SYNGENTA PARTICIPATIONS AG 2013-03-27 CN disclosed
CN-103002740-A Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2013-03-27 CN disclosed
CN-103002739-A Methods for controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG 2013-03-27 CN disclosed
CN-102238871-A Spiroheterocyclic n-oxyamides as pesticides SYNGENTA PARTICIPATIONS AG 2011-11-09 CN disclosed