SCHEMBL16254752

SCHEMBL16254752

CCCCCC(CC)CC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA2 P00918 2/20 0.43
CA1 P00915 2/20 0.42
LMNA P02545 1/20 0.42
GPR84 Q9NQS5 6/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
FDPS P14324 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FFAR1 O14842 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL28683257 0.86 LMNA (0.52) ALDH1A1TDP1CA2LMNAGPR84
SCHEMBL6860417 0.84 CA2 (0.46) ALDH1A1TDP1CA2CA1LMNA
SCHEMBL2178204 0.81 LMNA (0.44) ALDH1A1CA2LMNAGPR84PRSS1
SCHEMBL5046988 0.81 ALDH1A1 (0.56) ALDH1A1TDP1CA2CA1CYP3A4
SCHEMBL15401578 0.81 MAPT (0.48) TDP1CA2LMNAGPR84CYP3A4
SCHEMBL8513715 0.80 CA2 (0.46) ALDH1A1TDP1CA2CA1LMNA
SCHEMBL8356601 0.79 MAPT (0.52) TDP1CA2LMNAGPR84CYP3A4
SCHEMBL10410671 0.79 CA2 (0.50) ALDH1A1TDP1CA2CA1LMNA
SCHEMBL6600761 0.78 LMNA (0.48) ALDH1A1TDP1CA2CA1LMNA
SCHEMBL6598059 0.78 LMNA (0.48) ALDH1A1TDP1CA2CA1LMNA

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed