SCHEMBL8311330

SCHEMBL8311330

CCOC(=O)C(CC)(CC)CCCCBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.71
CYP4A11 Q02928 3/20 0.71
PKM P14618 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8311817 0.94 CYP4F2 (0.68) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL25247450 0.83 CYP4F2 (0.73) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9574956 0.83 CYP4F2 (0.73) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL23309172 0.83 CYP4F2 (1.00) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL11514202 0.83 CYP4F2 (0.73) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL5557393 0.82 CYP4F2 (0.72) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL14892057 0.82 CYP4F2 (0.67) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL21052369 0.81 CYP4F2 (0.66) CYP4F2CYP4A11PKMTHRBHTT
Ammonia Solution, Strong SCHEMBL3243491 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL8986939 0.80 CYP4F2 (0.46) CYP4F2CYP4A11PKMTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
EP-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
US-4987147-A Low toxicity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed