SCHEMBL7967931

SCHEMBL7967931

CCCCC(C)SC(C)[O]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CA2 P00918 3/20 0.33
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.32
SLC15A1 P46059 1/20 0.31
TP53 P04637 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7963169 0.84
SCHEMBL776356 0.84 DNM1 (0.41) TSHRSMN1; SMN2DNM1FDPSCA2
SCHEMBL24300175 0.79 DNM1 (0.38) TSHRSMN1; SMN2DNM1FDPSCA2
SCHEMBL10634837 0.76 OPRM1 (0.50) TSHRDNM1FDPSOPRM1CA1
SCHEMBL7628846 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1
SCHEMBL7749124 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1
SCHEMBL8164513 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1
SCHEMBL10631876 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1
SCHEMBL10631973 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1
SCHEMBL1598636 0.74 OPRM1 (0.48) TSHRDNM1FDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed