SCHEMBL8988273

SCHEMBL8988273

C/C=C/c1ccccc1.CON(C)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
TNFRSF1A P19438 4/20 0.43
MAOB P27338 3/20 0.43
MAPT P10636 3/20 0.43
CYP1B1 Q16678 3/20 0.43
BCHE P06276 3/20 0.43
LMNA P02545 2/20 0.43
PLIN1 O60240 1/20 0.43
ACHE P22303 1/20 0.43
RECQL P46063 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL22708676 0.88 MLYCD (0.51) MLYCDMAOBMAPTLMNAKMT2A
SCHEMBL28777 0.86 MLYCD (0.54) MLYCDLMNARECQLKMT2ANPC1
Hydrochloric Acid SCHEMBL7476159 0.84 MLYCD (0.53) MLYCDLMNARECQLKMT2ANPC1
SCHEMBL3303829 0.80 HPGD (0.56) MLYCDACHEKMT2ANPC1RAB9A
Bicarbonate SCHEMBL10585721 0.76 GLA (0.58) TNFRSF1AMAOBMAPTCYP1B1BCHE
SCHEMBL4449884 0.76 MAPT (0.56) MLYCDMAPTLMNANPC1RAB9A
Acetic Acid SCHEMBL3883980 0.74 GLA (0.61) TNFRSF1AMAOBMAPTCYP1B1BCHE
Acetone SCHEMBL28318720 0.74 GLA (0.61) TNFRSF1AMAOBMAPTCYP1B1BCHE
Acetic Acid SCHEMBL3883987 0.74 GLA (0.61) TNFRSF1AMAOBMAPTCYP1B1BCHE
SCHEMBL30037936 0.74 UNG (0.54) MLYCDMAOBBCHEKMT2AALDH1A1

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
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO disclosed