SCHEMBL9801940

SCHEMBL9801940

CCCCCCCCCCCCCCC1OC1c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
CFTR P13569 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MCHR1 Q99705 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL379440 0.86 CFTR (0.45) GRM2POLBFASNCFTR
SCHEMBL1499434 0.86 CFTR (0.45) GRM2POLBFASNCFTR
SCHEMBL4624725 0.86 CFTR (0.45) GRM2POLBFASNCFTR
SCHEMBL27260115 0.86 CFTR (0.45) GRM2POLBFASNCFTR
SCHEMBL9802435 0.80 SPHK1 (0.48) ALDH1A1
SCHEMBL9132881 0.77 SLC5A2 (0.36) ALDH1A1
SCHEMBL27917653 0.77 HTR7 (0.36) GRM2
SCHEMBL14450121 0.72 TSHR (0.39) HTTALDH1A1
SCHEMBL13964549 0.72 SLC5A2 (0.49) ALDH1A1
SCHEMBL8857978 0.72 SLC5A2 (0.49) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed