SCHEMBL9766028

SCHEMBL9766028

O=C(O)CC1CC(=O)Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
EGFR P00533 3/20 0.51
LMNA P02545 2/20 0.50
CREBBP Q92793 5/20 0.45
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
BRD4 O60885 5/20 0.42
EP300 Q09472 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31379038 0.85 LMNA (0.60) ALDH1A1EGFRLMNACREBBPHSD17B10
SCHEMBL5025547 0.85 ALDH1A1 (0.50) ALDH1A1EGFRLMNAHSD17B10GLA
SCHEMBL29062859 0.85 LMNA (0.60) ALDH1A1EGFRLMNACREBBPHSD17B10
SCHEMBL28558501 0.81 LMNA (0.54) ALDH1A1EGFRLMNACREBBPBRD4
SCHEMBL29894565 0.81 LMNA (0.54) ALDH1A1EGFRLMNACREBBPBRD4
SCHEMBL17969124 0.80 ALDH1A1 (0.54) ALDH1A1LMNACREBBPHSD17B10BRD4
SCHEMBL9153385 0.79 LMNA (0.54) ALDH1A1EGFRLMNACREBBPHSD17B10
SCHEMBL29960617 0.79 ALDH1A1 (0.53) ALDH1A1LMNACREBBPHSD17B10BRD4
SCHEMBL25789187 0.79 BRD4 (0.57) ALDH1A1LMNACREBBPHSD17B10BRD4
SCHEMBL23824580 0.79 IDO1 (0.61) ALDH1A1LMNACREBBPBRD4IDO1

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-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed