SCHEMBL7997554

SCHEMBL7997554

Cc1c(C(=O)O)ccc2c1SCC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
CYP1A2 P05177 1/20 0.33
FTO Q9C0B1 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 3/20 0.32
MAPK1 P28482 2/20 0.32
MMP14 P50281 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYMS P04818 1/20 0.32
HAAO P46952 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL7997428 0.84 KDM4E (0.38) SLC22A6SLC22A8CYP1A2FTOTSHR
SCHEMBL7980013 0.83 MAPT (0.38) CYP1A2TSHRKDM4EMAPTALDH1A1
SCHEMBL843489 0.69 CYP1A2 (0.48) SLC22A6SLC22A8CYP1A2TSHRKDM4E
SCHEMBL7620903 0.69 MCL1 (0.36) CYP1A2TSHRKDM4EMAPTPOLB
SCHEMBL10164854 0.69 SLC22A8 (0.49) SLC22A6SLC22A8CYP1A2TSHRKDM4E
SCHEMBL128319 0.69 CYP1A2 (0.58) CYP1A2TSHRKDM4ESMN1; SMN2HAAO
SCHEMBL31389208 0.69 CYP1A2 (0.58) CYP1A2TSHRKDM4ESMN1; SMN2HAAO
Cyclohexane SCHEMBL253627 0.67 CYP1A2 (0.50) CYP1A2TSHRKDM4ESMN1; SMN2HAAO
SCHEMBL23872278 0.67 CYP1A2 (0.33) CYP1A2TSHRKDM4EMAPTPOLB
SCHEMBL15556851 0.67 SLC22A6 (0.43) SLC22A6SLC22A8POLBSMN1; SMN2GAA

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
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed