Sugi Predict

Sugi Predict / Compounds / SCHEMBL27720237

SCHEMBL27720237

SCHEMBL27720237

Cc1cc(C)cc(C)c1.O=C(Cl)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL28121434 1.00 TPMT (0.46) TPMTALDH1A1HTTSMN1; SMN2GSK3B
P-Xylene SCHEMBL28089675 0.83 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2GSK3BNPSR1
SCHEMBL2437624 0.83 TPMT (0.46) TPMTALDH1A1HTTNPSR1RXRA
SCHEMBL2072660 0.79 TPMT (0.52) TPMTALDH1A1HTTNPSR1RXRA
SCHEMBL2529212 0.77 TPMT (0.41) TPMTALDH1A1HTTGSK3BNPSR1
Toluene SCHEMBL27696369 0.77 LMNA (0.52) ALDH1A1HTTSMN1; SMN2GSK3BNPSR1
Methyl Alcohol SCHEMBL27979683 0.75 — —
Methylene Chloride SCHEMBL7983107 0.75 ALDH1A1 (0.50) TPMTALDH1A1HTTNPSR1TSHR
SCHEMBL1332028 0.74 — —
SCHEMBL9584 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431897-B A kind of new synthesis process of 2,4,6- trimethylbenzene chloroacetic chloride 宿迁科思化学有限公司 2019-06-04 — — CN claimed
CN-106431897-A New compounding technology for 2,4,6-trimethyl phenylacetyl chloride 宿迁科思化学有限公司 2017-02-22 — — CN claimed
CN-106431897-B A kind of new synthesis process of 2,4,6- trimethylbenzene chloroacetic chloride 宿迁科思化学有限公司 2019-06-04 — — CN disclosed
CN-106431897-B A kind of new synthesis process of 2,4,6- trimethylbenzene chloroacetic chloride 宿迁科思化学有限公司 2019-06-04 — — CN disclosed
CN-106431897-B A kind of new synthesis process of 2,4,6- trimethylbenzene chloroacetic chloride 宿迁科思化学有限公司 2019-06-04 — — CN disclosed
CN-207187756-U A kind of stirred tank and reactor 宿迁科思化学有限公司 2018-04-06 — — CN disclosed
CN-106431897-A New compounding technology for 2,4,6-trimethyl phenylacetyl chloride 宿迁科思化学有限公司 2017-02-22 — — CN disclosed
CN-103649049-B For 3-(biphenyl-3-base)-8,8-two fluoro-hydroxyl-1-azaspiro [4.5]-3-in the last of the ten Heavenly stems alkene-2-ketone being replaced treated and the spirocyclic ketoenols being optionally substituted by halogen 拜耳知识产权有限责任公司 2016-06-29 — — CN disclosed
CN-101160049-B Spiroketal-substituted cyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-11 — — CN disclosed
CN-203370529-U Acid feeding device for preparing acyl-chloride type product SUQIAN KESI CHEM CO LTD 2014-01-01 — — CN disclosed
CN-103285774-A Acid adding device used for preparing acyl chloride product SUQIAN KESIHUA CO LTD 2013-09-11 — — CN disclosed
CN-202638263-U Tail gas absorption device SUQIAN KESI CHEM CO LTD 2013-01-02 — — CN disclosed
CN-101160049-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2008-04-09 — — CN disclosed