SCHEMBL7440935

SCHEMBL7440935

CCCCC[C](CC(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B1 P15121 1/20 0.37
GPR84 Q9NQS5 6/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL7438751 0.98 CES2 (0.41) CES2CES1LMNAMEN1KMT2A
SCHEMBL7437356 0.93 CES1 (0.36) CES2CES1LMNAMEN1KMT2A
SCHEMBL28179469 0.85 CES2 (0.46) CES2CES1LMNAMEN1KMT2A
SCHEMBL19329327 0.82 CES2 (0.43) CES2CES1LMNAMEN1KMT2A
SCHEMBL28180348 0.82 CES2 (0.48) CES2CES1LMNAMEN1KMT2A
SCHEMBL7389115 0.82 CA2 (0.36) CES2CES1ALDH1A1TDP1
SCHEMBL25381294 0.80 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL8901816 0.80 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL9223712 0.79 PAOX (0.38) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL10637009 0.79 LMNA (0.43) 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-4771037-A N-CARBOXYALKYL-PEPTIDES USEFUL AS INHIBITORS OF PROTEOGLYCANASE ICI AMERICAS INC. (US) 1988-09-13 US disclosed