SCHEMBL7445820

SCHEMBL7445820

C=CCC(CC)(CCC)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL7433180 0.89 CYP2C19 (0.36) POLBTDP1CYP2C19CYP4F2CYP4A11
SCHEMBL28718243 0.82 CYP4F2 (0.38) POLBCYP4F2CYP4A11MAPTALDH1A1
SCHEMBL1361079 0.82 CYP2C19 (0.39) POLBTDP1CYP2C19MAPTALDH1A1
SCHEMBL17617116 0.82 CYP4F2 (0.42) POLBCYP4F2CYP4A11MAPTALDH1A1
SCHEMBL18597562 0.81 CYP4F2 (0.39) POLBCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL5879371 0.81 ZDHHC20 (0.40) POLBCYP2C19CYP4F2CYP4A11MAPT
SCHEMBL354285 0.79 CYP2C19 (0.37) POLBTDP1CYP2C19MAPTALDH1A1
SCHEMBL9141375 0.78 DGAT1 (0.36) CYP4F2CYP4A11MAPTALDH1A1LMNA
SCHEMBL28248731 0.78 CYP2C19 (0.38) POLBTDP1CYP2C19MAPTALDH1A1
SCHEMBL16453917 0.77 KDM4E (0.34) CYP4F2CYP4A11MAPTALDH1A1LMNA

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-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed