SCHEMBL2450476

SCHEMBL2450476

CC(C)(C)OC(=O)C1C2CCC1CC(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KMT2A Q03164 2/20 0.34
PREP P48147 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL30171988 0.86 HRH3 (0.41) BTKHSD17B10HRH3CHRM2CHRM1
SCHEMBL6121092 0.85 ALDH1A1 (0.44) BTKHRH3KMT2AALDH1A1SMN1; SMN2
SCHEMBL21159154 0.85 ALDH1A1 (0.44) BTKHRH3KMT2AALDH1A1SMN1; SMN2
SCHEMBL6926352 0.85 CHRM2 (0.40) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL12968568 0.85 CHRM2 (0.40) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL1409871 0.82 BTK (0.47) BTKHSD17B10HRH3CHRM2CHRM1
SCHEMBL16213867 0.81 HRH3 (0.38) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL17893456 0.79 PPM1B (0.47) KMT2AALDH1A1POLB
SCHEMBL23925520 0.79 BTK (0.40) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL28473594 0.79 BTK (0.46) BTKHSD17B10HRH3CHRM2CHRM1

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-2364311-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI (FR) 2011-09-14 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 WO disclosed