SCHEMBL4324062

SCHEMBL4324062

COc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
MAPT P10636 2/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
ESR2 Q92731 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL4324066 1.00 TRPM8 (0.40) TRPM8MAPTRAB9ALMNANPC1
SCHEMBL2791434 0.84 SMN1; SMN2 (0.39) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL2791431 0.84 SMN1; SMN2 (0.39) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL3989548 0.84 KMT2A (0.40) MAPTLMNATSHRNPSR1ALDH1A1
SCHEMBL8539792 0.84 SMN1; SMN2 (0.40) TRPM8RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL4381548 0.82 GPR119 (0.35) MAPTKDM4ENOX1ALDH1A1TAS1R3
SCHEMBL4381546 0.82 GPR119 (0.35) MAPTKDM4ENOX1ALDH1A1TAS1R3
SCHEMBL10431533 0.82 KEAP1 (0.42) TRPM8MAPTRAB9ALMNANPC1
SCHEMBL4326713 0.81 TRPM8 (0.48) TRPM8MAPTRAB9ALMNANPC1
SCHEMBL7630006 0.80 ALOX5 (0.47) LMNAALOX5L3MBTL1NOX1MAOB

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed