SCHEMBL8600445

SCHEMBL8600445

C=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)F)nc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
CYP11B1 P15538 7/20 0.35
CYP11B2 P19099 7/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CYP19A1 P11511 1/20 0.35
CASR P41180 1/20 0.35
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
BMP1 P13497 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8600450 1.00 SRC (0.40) SRCABL1CYP11B1CYP11B2CA12
SCHEMBL7555251 0.91 CYP2D6 (0.34) SRCABL1CA12CA1CA9
SCHEMBL7555260 0.91 CYP2D6 (0.34) SRCABL1CA12CA1CA9
SCHEMBL7558965 0.90 SRC (0.42) SRCABL1CYP11B1CYP11B2CA12
SCHEMBL8054121 0.90 SRC (0.40) SRCABL1CYP11B1CYP11B2CA12
SCHEMBL7558968 0.90 SRC (0.42) SRCABL1CYP11B1CYP11B2CA12
SCHEMBL8054124 0.90 SRC (0.40) SRCABL1CYP11B1CYP11B2CA12
SCHEMBL7553416 0.86 SRC (0.40) SRCABL1CA12CA1CA9
SCHEMBL7553411 0.86 SRC (0.40) SRCABL1CA12CA1CA9
SCHEMBL7560615 0.85 SRC (0.40) SRCABL1CYP11B1CYP11B2CA12

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-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed