SCHEMBL7738121

SCHEMBL7738121

CCC(O)C1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.39
TP53 P04637 1/20 0.34
GBA1 P04062 1/20 0.33
GANAB Q14697 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
TSHR P16473 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
SCHEMBL1543623 0.89 SHBG (0.46) SHBGTP53GBA1GANABKDM4E
SCHEMBL8238840 0.89
SCHEMBL8236066 0.89
SCHEMBL126585 0.89
SCHEMBL26710318 0.86 TRPA1 (0.39) SHBGGBA1GANABTRPA1TRPM8
SCHEMBL15160458 0.81 SHBG (0.33) SHBG
SCHEMBL9815880 0.80 SHBG (0.62) SHBGTP53GBA1GANABKDM4E
SCHEMBL26685314 0.80 SHBG (0.39) SHBGTP53GBA1GANABKDM4E
SCHEMBL128333 0.79
SCHEMBL16621836 0.79

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-6414031-B1 CONTROLLING FUNGI BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed