SCHEMBL28670552

SCHEMBL28670552

Cc1ccc(C(C)(C)OP(=O)(O)OC(C)(C)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MMP8 P22894 1/20 0.36
PTK2B Q14289 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTPN5 P54829 1/20 0.36
HPGD P15428 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL18774698 0.82 TSHR (0.44) TSHRLMNANPC1RAB9AMAPT
SCHEMBL8849102 0.82 ALDH1A1 (0.54) TSHRMAPTCYP3A4ALDH1A1HDAC1
SCHEMBL11999095 0.78 TSHR (0.41) TSHRLMNANPC1RAB9AMAPT
SCHEMBL28659103 0.77 ALDH1A1 (0.48) TSHRMAPTCYP3A4ALDH1A1HDAC1
SCHEMBL29017995 0.77 NPC1 (0.41) TSHRLMNANPC1RAB9AMAPT
SCHEMBL28203220 0.76 TSHR (0.43) TSHRLMNANPC1RAB9AMAPT
SCHEMBL28456710 0.73 ALDH1A1 (0.48) TSHRLMNAMAPTALDH1A1HDAC1
SCHEMBL11759829 0.72 TSHR (0.48) TSHRLMNANPC1RAB9AMAPT
SCHEMBL3883723 0.72 TSHR (0.48) TSHRLMNANPC1RAB9AMAPT
SCHEMBL14029162 0.72 TSHR (0.48) TSHRLMNANPC1RAB9AMAPT

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
CN-113773424-A Catalyst component for olefin polymerization and application 中国石油化工股份有限公司 2021-12-10 CN disclosed
CN-113773425-A Catalyst component for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-12-10 CN disclosed
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN disclosed