SCHEMBL8777940

SCHEMBL8777940

COc1ccc(NC(=O)N(Cc2ccccn2)C2CCCCCC2)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A9 P48067 3/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL8777896 0.88 USP2 (0.45) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL8777976 0.83 TSHR (0.59) TSHRALDH1A1LMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8777867 0.82 TSHR (0.58) TSHRALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL8777926 0.79 KMT2A (0.63) TSHRALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8778102 0.79 TSHR (0.48) TSHRALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL8778002 0.75 F10 (0.47) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8706854 0.74 USP2 (0.46) ALDH1A1NPSR1USP2LMNAKDM4E
SCHEMBL8777858 0.73 F10 (0.49) ALDH1A1LMNASMN1; SMN2KMT2ACYP1A2
SCHEMBL8778045 0.73 TSHR (0.49) TSHRALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL8777846 0.72 GAA (0.58) TSHRALDH1A1NPSR1USP2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed