SCHEMBL17308262

SCHEMBL17308262

CCC(C)(C)Sc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
POLB P06746 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
SCHEMBL12807695 0.85 NPC1 (0.43) SMN1; SMN2LMNANPC1RAB9AHRH3
SCHEMBL14334716 0.85 ESR1 (0.40) ALDH1A1
SCHEMBL12906899 0.83 ALDH1A1 (0.35) ALDH1A1TSHREPHX2NR1H4SMN1; SMN2
SCHEMBL23678513 0.83 ALDH1A1 (0.43) ALDH1A1TSHREPHX2NR1H4SMN1; SMN2
SCHEMBL19867412 0.80 NPC1 (0.40) SMN1; SMN2LMNANPC1RAB9AHRH3
SCHEMBL19114811 0.80 ESR1 (0.37) KIF11
SCHEMBL26055229 0.79 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL20310895 0.78 MAOA (0.38) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL202010 0.78 SLC6A4 (0.32)
SCHEMBL202011 0.78 ESR1 (0.45) ALDH1A1TSHRSMN1; SMN2LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339755-A1 POLYARYLENE SULFIDE COPOLYMER AND METHOD OF PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2020-10-29 US disclosed
US-9840596-B2 Polyphenylene sulfide block copolymer and manufacturing method therefor TORAY INDUSTRIES INC. (JP) 2017-12-12 US disclosed
US-9771465-B2 Polyarylene sulfide resin composition and molded article comprising same TORAY INDUSTRIES, INC. (JP) 2017-09-26 US disclosed
US-20170145165-A1 POLYPHENYLENE SULFIDE BLOCK COPOLYMER AND MANUFACTURING METHOD THEREFOR TORAY INDUSTRIES, INC. (JP) 2017-05-25 US disclosed
EP-2949705-A1 POLYPHENYLENE SULFIDE RESIN COMPOSITION, METHOD FOR PRODUCING SAME, AND MOLDED ARTICLE OF SAME Toray Industries, Inc. (JP) 2015-12-02 EP disclosed