SCHEMBL6083273

SCHEMBL6083273

Cc1ccc(CC[CH]O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
IDO1 P14902 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
ACHE P22303 1/20 0.38
AGXT P21549 1/20 0.38
NPC1 O15118 2/20 0.38
DAO P14920 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC5A1 P13866 1/20 0.38

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
SCHEMBL6083107 0.86 IGF1R (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL19031453 0.82 GPR52 (0.49) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL8733231 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL3079938 0.77 CYP1A2 (0.46) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1611960 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL364888 0.76 CYP2A6 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL2132364 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL11661465 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL8476153 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL11288839 0.76 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed
EP-1201235-B1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LTD (JP) 2005-10-12 EP disclosed
CN-1377263-A Neuropathy improves containing nitrogenous compounds as the active ingredient TEIJIN LTD (JP) 2002-10-30 CN disclosed
EP-1201235-A1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-05-02 EP disclosed