SCHEMBL7993975

SCHEMBL7993975

CCOC1CCS(=S=O)c2c1ccc(C(=O)O)c2C

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPK10 P53779 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL7809696 0.71 CNR2 (0.32) CNR2
SCHEMBL7811188 0.70 GAA (0.33) CNR2
SCHEMBL7622103 0.68 RXRA (0.35) MEN1KMT2A
SCHEMBL7992007 0.66 SLC22A6 (0.33)
SCHEMBL7980027 0.64 TSHR (0.35) CNR2
SCHEMBL27844611 0.60 NOTUM (0.43) CYP1A2MAPT
Ether SCHEMBL28108016 0.58 KDM4E (0.50) MEN1CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL13774810 0.58 TSHR (0.59) MEN1USP2CYP1A2CYP3A4MAPT
SCHEMBL27357827 0.58 TSHR (0.45) MEN1CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL27441719 0.58 NOTUM (0.42) CNR2CYP1A2CYP3A4MAPTCYP2C9

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
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed