SCHEMBL8528107

SCHEMBL8528107

CC[CH]CN(CCCC)CCCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
KCNH2 Q12809 5/20 0.34
MAPT P10636 1/20 0.33
DNM1 Q05193 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11684576 0.78 KCNH2 (0.47) CA12CA1CA9KCNH2MAPT
SCHEMBL11684578 0.78 KCNH2 (0.47) CA12CA1CA9KCNH2MAPT
SCHEMBL27870369 0.77 CA12 (0.33) CA12CA1CA9KCNH2MAPT
SCHEMBL22575303 0.77 KCNH2 (0.43) CA12CA1CA9KCNH2MAPT
SCHEMBL7075096 0.77 KCNH2 (0.32) CA12CA1CA9KCNH2
Hydrochloric Acid SCHEMBL22771548 0.75 KCNH2 (0.42) CA12CA1CA9KCNH2MAPT
SCHEMBL10081310 0.75 KCNH2 (0.42) CA12CA1CA9KCNH2MAPT
Hydrochloric Acid SCHEMBL22771547 0.75 KCNH2 (0.42) CA12CA1CA9KCNH2MAPT
SCHEMBL16892362 0.75 KCNH2 (0.42) CA12CA1CA9KCNH2MAPT
SCHEMBL1462538 0.74 TSHR (0.43) CA12CA1CA9KCNH2MAPT

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-0526068-B1 Phthalocyanine pigment compositions CIBA GEIGY AG (CH) 1998-12-30 EP disclosed
US-5279654-A Mixture with anionic surfactant CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
EP-0526068-A2 Phthalocyanine pigment compositions CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed