SCHEMBL185572

SCHEMBL185572

CCC(NC(C)=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
GPR139 Q6DWJ6 1/20 0.45
KCNA5 P22460 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
ACACB O00763 1/20 0.43

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
SCHEMBL8403294 0.84 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1697588 0.84 CYP1A2 (0.65) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7455436 0.84 ADORA2A (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8398268 0.84 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6934051 0.84 ADORA2A (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7081080 0.84 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL186416 0.83 LMNA (0.61) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL186230 0.83 LMNA (0.61) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL186238 0.83 LMNA (0.61) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8675596 0.82 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-2401260-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097465-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO disclosed