SCHEMBL27841663

SCHEMBL27841663

Cc1cc(C)c(C(Cl)C(=O)Cl)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 4/20 0.33
TSHR P16473 2/20 0.33
TPMT P51580 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
IGFBP3 P17936 1/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL27849720 0.85 TSHR (0.35) TSHRTPMT
SCHEMBL7289944 0.81 KDM4E (0.38) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL28175905 0.76 TPMT (0.39) ALDH1A1KDM4EMAPTTSHRTPMT
SCHEMBL27713992 0.74 TPMT (0.46) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL6841351 0.74 TDP1 (0.39) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL21259500 0.72 SLC6A2 (0.38) ALDH1A1KDM4EMAPTLMNAIGFBP3
SCHEMBL22298450 0.72 SLC6A2 (0.38) ALDH1A1KDM4EMAPTLMNAIGFBP3
SCHEMBL13453368 0.72
SCHEMBL7705523 0.71 RAPGEF4 (0.39) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL2848311 0.70 RAPGEF4 (0.43) ALDH1A1KDM4EMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764634-B N-epoxide pyrazolo-three azatropylidenes-derovatives 先正达参股股份有限公司 2016-12-14 CN disclosed
CN-103002740-B Pesticidal combination 先正达参股股份有限公司 2016-11-09 CN disclosed
CN-103402979-B Chemical compound 先正达参股股份有限公司 2016-08-24 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-103002739-A Methods for controlling neonicotinoid resistant hemiptera 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-102245028-A Spiroheterocyclic N-oxypiperidines as pesticides SYNGENTA PARTICIPATIONS AG 2011-11-16 CN disclosed
CN-102209469-A Herbicidal compositions SYNGENTA PARTICIPATIONS AG 2011-10-05 CN disclosed