SCHEMBL28316732

SCHEMBL28316732

O=C(O)C1(Cl)CC1c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PPARA Q07869 1/20 0.39
TPMT P51580 1/20 0.36
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL28317778 0.84 MAPK1 (0.45) LMNACYP2C9TSHRBLMPPARA
SCHEMBL3866422 0.83 MAPK1 (0.47) MAPK1CYP2C19ADAMTS5KDM1AMAOA
SCHEMBL28876302 0.82 LIG1 (0.44) LMNACYP2C9TSHRBLMPPARA
SCHEMBL28317681 0.80 CACNA1B (0.35) MAPK1CYP2C19ADAMTS5KMT2AKDM1A
SCHEMBL7317859 0.78 HAO1 (0.44) CYP2C9BLMKMT2ASMN1; SMN2L3MBTL1
SCHEMBL28268441 0.77 CA12 (0.43) CYP2C19PTPN2PTPN1ADAMTS5CA1
SCHEMBL28190200 0.76 NPSR1 (0.43) TSHREPHX2KMT2AMEN1RAB9A
SCHEMBL28190260 0.75 CCR2 (0.36) LMNACYP2C9TSHRBLMPPARA
SCHEMBL28190923 0.73 TPMT (0.38) TPMTMAPK1ADAMTS5KMT2AMEN1
SCHEMBL28317670 0.71 CYP3A4 (0.31) ADAMTS5KMT2AHPGDMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed