SCHEMBL10696084

SCHEMBL10696084

CCOC(=O)[C@H](CCc1ccccc1)N1CCC[C@@]1(C(=O)O)C(=O)[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 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
SCHEMBL8568423 1.00 ACE (0.45) ACELMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9863834 0.91 ACE (0.42) ACELMNASMN1; SMN2
SCHEMBL10825140 0.86 ACE (0.39) ACELMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10825128 0.86 ACE (0.39) ACELMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3369565 0.80 DPP8 (0.38) ACELMNASMN1; SMN2CYP1A2POLB
SCHEMBL10885324 0.80 HPGD (0.36) ACELMNASMN1; SMN2POLBMEN1
SCHEMBL6619629 0.80 DPP8 (0.38) ACELMNASMN1; SMN2CYP1A2POLB
SCHEMBL11199706 0.80 ABCB11 (0.37) ACELMNASMN1; SMN2MEN1KMT2A
SCHEMBL9864211 0.79 ALDH1A1 (0.39) ACEALDH1A1
SCHEMBL10789661 0.79 ALDH1A1 (0.39) ACEALDH1A1

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-0279357-A2 Composition for the treatment of coronary diseases or organic brain syndrome BOEHRINGER INGELHEIM KG (DE) 1988-08-24 EP disclosed