SCHEMBL26429862

SCHEMBL26429862

COc1cc(C)c(C[C@@H](NC(C)C)C(=O)C(C)C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL22147479 0.87 LMNA (0.40) KMT2AHPGDCYP3A4LMNAL3MBTL1
SCHEMBL26428476 0.84 OPRM1 (0.37)
SCHEMBL13254073 0.84 OPRM1 (0.37)
SCHEMBL10637181 0.75 CYP3A4 (0.44) KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL10636921 0.75 CYP3A4 (0.41) KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL10636928 0.75 CYP3A4 (0.41) KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL10637176 0.75 CYP3A4 (0.44) KMT2AHPGDCYP3A4SMN1; SMN2
SCHEMBL16171769 0.74 LDHA (0.43) KMT2AALDH1A1
SCHEMBL10477398 0.72 CYP3A4 (0.42) KMT2AHPGDCYP3A4L3MBTL1MTNR1A
SCHEMBL18659591 0.72 ALOX15 (0.43) KMT2ALMNAL3MBTL1ALDH1A1SMN1; SMN2

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
WO-2023069549-A1 METHODS AND COMPOSITIONS COMPRISING PEPTIDOMIMITICS FOR TREATING, PREVENTING, INHIBITING, AMELIORATING OR DELAYING THE ONSET OF OPHTHALMIC CONDITIONS STEALTH BIOTHERAPEUTICS INC. (US) 2023-04-27 WO disclosed