SCHEMBL22039751

SCHEMBL22039751

CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(C)=O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 20/20 0.68
CREBBP Q92793 11/20 0.68
CYP3A4 P08684 1/20 0.63
CYP2C8 P10632 1/20 0.63
CYP2C9 P11712 1/20 0.63
GABRA1 P14867 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR2B P41595 1/20 0.62
SLC6A3 Q01959 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
PLK3 Q9H4B4 1/20 0.62

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
SCHEMBL23891533 1.00 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL23891796 1.00 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL31149122 0.92 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL31149092 0.92 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL21505395 0.92 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605654 0.92 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL17605656 0.92 EP300 (0.68) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL19949518 0.91 EP300 (0.67) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL21505120 0.90 EP300 (0.65) EP300CREBBPCYP3A4CYP2C8CYP2C9
SCHEMBL23891723 0.88 EP300 (0.63) EP300CREBBPCYP3A4CYP2C8CYP2C9

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
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO disclosed