SCHEMBL9767585

SCHEMBL9767585

CC(C)C[C@H](N)CN(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 5/20 0.51
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL7996489 0.83 LMNA (0.51) LMNAMEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL18342102 0.83 LMNA (0.51) LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL18342320 0.83 LMNA (0.51) LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL18342101 0.83 LMNA (0.51) LMNAMEN1KMT2AKDM4E
SCHEMBL15670800 0.81 LMNA (0.43) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL6998369 0.78 LMNA (0.53) LMNAMEN1KMT2AHPGDPTGES
Trifluoroacetic Acid SCHEMBL20974226 0.76 CYP2C19 (0.45) LMNAMEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL20974224 0.76 CYP2C19 (0.45) LMNAMEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL20974410 0.76 CYP2C19 (0.45) LMNAMEN1KMT2AHPGD
SCHEMBL9767643 0.76 LMNA (0.44) LMNAMEN1KMT2AMMP1MMP3

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-5019647-A Antigrowth and anticarconogenic hexapeptide MERCK & CO., INC. (US) 1991-05-28 US disclosed