SCHEMBL249712

SCHEMBL249712

CCN(C(=O)O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
MCHR1 Q99705 2/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
GPR88 Q9GZN0 1/20 0.46
BCL2A1 Q16548 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5702218 0.95 RNF4 (0.51) RNF4TSHRLMNAALDH1A1BCL2A1
SCHEMBL17628547 0.90 RNF4 (0.58) RNF4TSHRALDH1A1MAPTBCL2A1
SCHEMBL27654625 0.82 ALDH1A1 (0.60) TSHRHPGDLTB4R2ALDH1A1NPC1
SCHEMBL15984777 0.81 SMN1; SMN2 (0.62) RNF4TSHRHPGDALDH1A1MAPT
SCHEMBL5454456 0.79 HTT (0.51) RNF4TSHRHPGDALDH1A1NPC1
SCHEMBL14577947 0.79 TSHR (0.49) RNF4TSHRHPGDALDH1A1MAPT
SCHEMBL11875667 0.79 SMN1; SMN2 (0.47) RNF4TSHRHPGDALDH1A1NPC1
SCHEMBL7044788 0.78 TSHR (0.51) RNF4TSHRLMNAHPGDALDH1A1
SCHEMBL6801988 0.78 TSHR (0.58) TSHRLMNAHPGDMCHR1ALDH1A1
SCHEMBL545097 0.78 TSHR (0.45) RNF4TSHRLMNAHPGDALDH1A1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed