SCHEMBL11577171

SCHEMBL11577171

COc1ccc(C(=O)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
ALDH1A1 P00352 3/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
GAA P10253 1/20 0.59
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54

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
SCHEMBL9914237 0.94 CYP1A2 (0.63) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11805654 0.93 CYP1A2 (0.61) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL31607627 0.91 ALDH1A1 (0.75) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL9360017 0.91 CYP1A2 (0.69) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL10428893 0.91 ALDH1A1 (0.75) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL7603587 0.91 HTT (0.66) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL11814018 0.91 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL31164288 0.89 ALDH1A1 (0.62) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
SCHEMBL14700550 0.89 TSHR (0.58) CYP1A2CYP2C19CYP3A4CYP2C9TSHR
Methoxyphenone SCHEMBL51436 0.88 CTNNB1 (0.60) CYP1A2CYP2C19CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106475-B1 METHOD FOR PRODUCING ETHYLENE/ALPHA-OLEFIN COPOLYMER MITSUI CHEMICALS INC (JP) 2019-08-28 EP disclosed
US-9969827-B2 Process for producing ethylene/α-olefin copolymer MITSUI CHEMICALS, INC. (JP) 2018-05-15 US disclosed
US-20170183432-A1 PROCESS FOR PRODUCING ETHYLENE/ALPHA-OLEFIN COPOLYMER MITSUI CHEMICALS, INC. (JP) 2017-06-29 US disclosed
EP-3106475-A1 METHOD FOR PRODUCING ETHYLENE/ALPHA-OLEFIN COPOLYMER Mitsui Chemicals, Inc. (JP) 2016-12-21 EP disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4024324-A Novel polyolefin composition of matter UOP INC. (US) 1977-05-17 US disclosed