SCHEMBL7771127

SCHEMBL7771127

COCCNc1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.62
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
NCF1 P14598 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL881553 0.89 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1GAA
SCHEMBL7734442 0.86 NCF1 (0.56) CHRM2ALDH1A1CYP1A2LMNACYP2C19
SCHEMBL7770772 0.84 CHRM2 (0.57) CHRM2ALDH1A1MAPTNPC1GAA
SCHEMBL1644001 0.82 CHRM2 (0.64) CHRM2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20837291 0.82 NCF1 (0.44) CHRM2ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL7772573 0.82 CHRM2 (0.55) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4168734 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1GAA
SCHEMBL7733773 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1GAA
SCHEMBL3073595 0.81 CHRM2 (0.62) CHRM2ALDH1A1HSD17B10USP2MAPT
SCHEMBL5800488 0.81 CHRM2 (0.62) CHRM2ALDH1A1LMNAHSD17B10MAPT

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-0990643-B1 Luminescence indicator for determining calcium ions AVL MEDICAL INSTR (CH) 2001-07-25 EP disclosed
US-6171866-B1 N-SUBSTITUTED IMINODIACETIC ACID DERIVATIVES AVL MEDICAL INSTRUMENTS (CH) 2001-01-09 US disclosed
EP-0990643-A1 Luminescence indicator for determining calcium ions AVL Medical Instruments (CH) 2000-04-05 EP disclosed