SCHEMBL16213686

SCHEMBL16213686

CC(C)CCCCNC(=O)COC(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 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
SCHEMBL26691656 0.98 FAAH (0.44) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL22872813 0.98 FAAH (0.44) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL14240965 0.95 ALDH1A1 (0.41) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL25063763 0.92 HPGD (0.43) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL25591284 0.91 EPHX2 (0.43) FAAHKMT2AALDH1A1LMNAHPGD
SCHEMBL21106554 0.89 EPHX2 (0.45) FAAHKMT2AALDH1A1LMNA
SCHEMBL24935618 0.88 HPGD (0.43) FAAHKMT2AMEN1ALDH1A1LMNA
SCHEMBL25063750 0.86 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL24935605 0.86 ALDH1A1 (0.46) FAAHKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL19249122 0.84 EPHX2 (0.43) FAAHKMT2AALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 WO disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed