SCHEMBL15768394

SCHEMBL15768394

CCOOC(=O)c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL31443213 0.85 CYP3A4 (0.60) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7179225 0.85 TSHR (0.78) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27704810 0.85 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1RAB9A
Benzene SCHEMBL27418497 0.84 ALDH1A1 (0.51) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL127127 0.84 NPC1 (0.53) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL7632492 0.84 KMT2A (0.44) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL1569293 0.82 TSHR (0.80) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL29535471 0.82 TSHR (0.80) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5510171 0.82 TSHR (0.50) TSHRKMT2AMEN1ALDH1A1RAB9A
SCHEMBL27664953 0.82 MEN1 (0.47) TSHRKMT2AMEN1ALDH1A1RAB9A

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
CN-108102313-B Dyed polyester master batch and production process thereof 苏州市苏宏塑料有限公司 2020-06-26 CN claimed
CN-108102313-B Dyed polyester master batch and production process thereof 苏州市苏宏塑料有限公司 2020-06-26 CN disclosed
US-9441058-B2 Procatalyst composition with substituted amide ester internal electron donor W. R. Grace & Co.—Conn. (US) 2016-09-13 US disclosed
US-20140163184-A1 Procatalyst Composition with Substituted Amide Ester Internal Electron Donor W. R. GRACE & CO.-CONN. 2014-06-12 US disclosed
CN-101863844-A Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2010-10-20 CN disclosed
CN-87104353-A The improvement of catalyst productivity in polymerization of olefins UNION CARBIDE CORP (US) 1988-03-16 CN disclosed