SCHEMBL28001073

SCHEMBL28001073

CCCCc1ccccc1C(=O)OOC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 2/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6463491 0.85 TSHR (0.51) KMT2AALDH1A1TSHRTDP1L3MBTL1
SCHEMBL30766153 0.83 TSHR (0.50) KMT2AALDH1A1TSHRTDP1L3MBTL1
SCHEMBL27782109 0.81 ALDH1A1 (0.58) KMT2AALDH1A1TSHRCYP3A4LMNA
SCHEMBL6463463 0.81 TSHR (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL21192678 0.80 ALDH1A1 (0.53) KMT2AALDH1A1TSHRTDP1L3MBTL1
SCHEMBL29024367 0.80 TSHR (0.46) KMT2AALDH1A1TSHRTDP1L3MBTL1
SCHEMBL6466153 0.79 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6468288 0.79 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6465819 0.79 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6464030 0.79 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541877-A Magnesium halide adduct and applications thereof, catalyst component for olefin polymerization, catalyst system for olefin polymerization, applications of catalyst system, and olefin polymerization method CHINA PETROLEUM & CHEM CORP 2016-05-04 CN disclosed
CN-102796127-B Spherical magnesium halide adduct and preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-02-11 CN disclosed