SCHEMBL7423528

SCHEMBL7423528

Cc1cc(C)cc(NC(=O)c2ccc(CCN(C(=O)O)C(CC(C)C)C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
CCR5 P51681 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7426638 0.88 ALDH1A1 (0.43) LMNAMEN1KMT2AMAPTGAA
SCHEMBL7425533 0.88 TRPV1 (0.53) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL7427033 0.82 GRIA2 (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7426467 0.82 GRIA2 (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7425045 0.82 TAS1R3 (0.48) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7423336 0.79 PARP10 (0.46)
SCHEMBL7424796 0.78 HPGD (0.38) MEN1KMT2A
SCHEMBL7421295 0.77 PPARG (0.41) LMNARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7418698 0.77 MCHR1 (0.41) SMN1; SMN2HDAC1HDAC6ALDH1A1
SCHEMBL7417897 0.76 FOLH1 (0.45) MEN1KMT2AKDM4E

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed