SCHEMBL8578940

SCHEMBL8578940

CCCCC#Cc1ccc2c(c1)[CH]c1cc(C#CCCCC)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL5886588 0.79 FFAR1 (0.53) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL8846653 0.77 FFAR1 (0.51) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL5667304 0.74 TNK2 (0.49) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL8848221 0.74 FFAR1 (0.43) TNK2FFAR1FFAR4MMP2MMP12
Hydrochloric Acid SCHEMBL8678229 0.73 TNK2 (0.40) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL29084189 0.72 NPC1 (0.42) FFAR1FFAR4NPC1MAPTRAB9A
SCHEMBL2813051 0.72 KCNH2 (0.42) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL28739809 0.72 KCNH2 (0.54) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL5886652 0.71 FFAR1 (0.63) TNK2FFAR1FFAR4MMP2MMP12
SCHEMBL20917090 0.71 NPC1 (0.41) TNK2FFAR1FFAR4MMP2MMP12

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
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US claimed
US-5830958-A Polynuclear metallocene preparation and use PHILLIPS PETROLEUM COMPANY (US) 1998-11-03 US disclosed
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US disclosed