SCHEMBL8797451

SCHEMBL8797451

CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRM1 Q13255 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SOAT1 P35610 1/20 0.35
LPAR1 Q92633 3/20 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
SCHEMBL8797272 0.88 TP53 (0.45) TP53KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8798173 0.88 TP53 (0.47) TP53KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8797541 0.87 LPAR1 (0.45) TP53KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8797024 0.87 GRM7 (0.41) TP53KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8797482 0.87 LPAR1 (0.45) TP53KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8797584 0.86 TBXAS1 (0.48) KMT2ALMNA
SCHEMBL8797398 0.85 LPAR1 (0.49) TP53KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8797368 0.85 TP53 (0.38) TP53KMT2ALMNASMN1; SMN2MEN1
SCHEMBL8797835 0.85 TP53 (0.38) TP53KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8797055 0.85 TP53 (0.38) TP53KMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed