SCHEMBL10755328

SCHEMBL10755328

CCCCCCC#Cc1ccc(CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
MMP2 P08253 1/20 0.51
MMP12 P39900 1/20 0.51
KCNH2 Q12809 5/20 0.46
TNK2 Q07912 1/20 0.44
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL4238976 0.89 FFAR1 (0.49) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL5886652 0.87 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333090 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332907 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9335934 0.84 FFAR1 (0.61) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL2023915 0.84 FFAR1 (0.70) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9333590 0.83 FFAR1 (0.68) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9335863 0.83 FFAR1 (0.68) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332901 0.83 FFAR1 (0.68) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL9332979 0.83 FFAR1 (0.68) FFAR1FFAR4MMP2MMP12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014118556-A2 SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 WO disclosed
EP-0195097-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-10-28 EP disclosed
US-4699995-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-10-13 US disclosed
EP-0142145-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-03-04 EP disclosed
EP-0195097-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1986-09-24 EP disclosed
EP-0142145-A2 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1985-05-22 EP disclosed