SCHEMBL12466170

SCHEMBL12466170

CC(C)(C)N(C(=O)O)C(C)(C)COc1ccc2ccccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 7/20 0.49
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11889429 0.78 LMNA (0.51) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL11889474 0.74 LMNA (0.46) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5222008 0.74 RAB9A (0.43) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18209401 0.73 TDP1 (0.66) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL10587435 0.69 LMNA (0.55) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL11889228 0.68 ALDH1A1 (0.53) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL19608995 0.67 NPC1 (0.60) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL20563011 0.67 LMNA (0.49) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL14825221 0.66 NCEH1 (1.00) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL223575 0.66 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9APOLBHPGD

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-2668160-A1 TRPM8 RECEPTOR ANTAGONISTS Dompe' S.p.A. (IT) 2013-12-04 EP disclosed
WO-2012101244-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPE' S.P.A. (IT) 2012-08-02 WO disclosed