SCHEMBL9799590

SCHEMBL9799590

CCC#CCOc1ccc(C#Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.45
CYP19A1 P11511 1/20 0.41
MTNR1A P48039 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL9799610 0.87 ACACB (0.45) ACACBALDH1A1
SCHEMBL8753212 0.81 ACACB (0.60) ACACB
SCHEMBL8046404 0.81 ACACB (0.49) ACACB
SCHEMBL9335901 0.81 ACACB (0.47) ACACB
SCHEMBL7511204 0.81 KCNH2 (0.50) ACACB
SCHEMBL13433661 0.80 ACACB (0.64) ACACBALDH1A1
SCHEMBL16845306 0.80 ADAM17 (0.46) PPARAALDH1A1
SCHEMBL9637432 0.80 ACACB (0.56) ACACBALDH1A1
SCHEMBL9799789 0.79 NR5A1 (0.51) ACACBALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9328434 0.78 ACACB (0.54) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047169-A ELEVATES REFRACTIVE INDEX ANISOTROPY OF LIFQUID CRYSTAL COMPOUNDS; HIGH SPEED RESPONSE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-09-10 US disclosed