SCHEMBL13593236

SCHEMBL13593236

Cc1cc(Cl)ccc1OC(C)(C)C(=O)C=C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL7978183 0.78 PPARA (0.57) TSHRHTR2AHTR2CHTR2BMAPT
SCHEMBL13593225 0.77 TSHR (0.47) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL7983809 0.76 ALDH1A1 (0.56) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL14269950 0.74 LMNA (0.48) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL7984260 0.73 TSHR (0.64) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL28363492 0.73 TSHR (0.55) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL18195113 0.72 TSHR (0.47) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL13415854 0.70 TSHR (0.44) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL11176467 0.70 TSHR (0.51) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL13342765 0.69 PPARA (0.58) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 EP disclosed