SCHEMBL5079998

SCHEMBL5079998

C=CCC(C(=O)OC)C(C)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40

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
SCHEMBL5083415 0.89 PDCD1 (0.47) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL5082230 0.88 MEN1 (0.43) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5082878 0.88 MEN1 (0.43) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5941277 0.87 TSHR (0.47) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5083437 0.87 ALDH1A1 (0.43) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL5086238 0.83 TSHR (0.49) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5941226 0.83 TSHR (0.49) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5082847 0.82 TSHR (0.47) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL570149 0.81 TSHR (0.46) TSHRKMT2ALMNANPC1RAB9A
SCHEMBL5079977 0.81 LMNA (0.47) TSHRKMT2ALMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed