SCHEMBL7345181

SCHEMBL7345181

CC1CN(C(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)[CH]CC(C)C(N)=O)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
PPARG P37231 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
YAP1 P46937 7/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL7341214 0.87 PPARG (0.47) KMT2APPARGLMNASMN1; SMN2MME
SCHEMBL7340760 0.86 CACNA1B (0.50) PPARGMMEACECPA1ACE2
SCHEMBL7347680 0.86 MEN1 (0.46) KMT2APPARGNPC1RAB9ASMN1; SMN2
SCHEMBL7343476 0.86 YAP1 (0.47) PPARGNPC1RAB9AACEYAP1
SCHEMBL7335997 0.86 PPARG (0.50) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7348694 0.86 PPARG (0.48) PPARGMMEACECPA1ACE2
SCHEMBL7338702 0.85 PPARG (0.47) PPARGMMEACECPA1ACE2
SCHEMBL7346368 0.85 CACNA1B (0.47) PPARGACEYAP1
SCHEMBL7346369 0.85 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7347985 0.85 YAP1 (0.50) PPARGYAP1

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed