SCHEMBL7879640

SCHEMBL7879640

CCCCC[C](CCCCC)CCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
TSHR P16473 3/20 0.37
GPR84 Q9NQS5 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL7184609 0.98 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL16594597 0.92 CA1 (0.39) CES2CES1LMNAMEN1KMT2A
SCHEMBL10399823 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL10950789 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL11864750 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL8110729 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL11359540 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL9451147 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL21271848 0.88 FFAR4 (0.45) CES2CES1LMNAMEN1KMT2A
SCHEMBL8181135 0.87 CA1 (0.37) CES2CES1LMNAMEN1KMT2A

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-6331627-B1 Intermediates of benzoxazinone derivatives and preparation thereof REDDY'S LABORATORIES LTD. (IN) 2001-12-18 US disclosed