SCHEMBL9512063

SCHEMBL9512063

C=CC(CCCCC)OC(=O)C(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ABCB1 P08183 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.38
TSHR P16473 1/20 0.37
FAAH O00519 8/20 0.37
CES1 P23141 5/20 0.35
CES2 O00748 4/20 0.35
GPR84 Q9NQS5 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL3332206 0.81 ABCB1 (0.40) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL8152281 0.79 FAAH (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL16177782 0.79 FAAH (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL28416992 0.79 FAAH (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL15689858 0.79 FAAH (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL6503353 0.79 FAAH (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL4350901 0.79 ABCB1 (0.44) ABCB1ZDHHC7TSHRFAAH
SCHEMBL10576490 0.79 GPR84 (0.44) MAPTABCB1ZDHHC7TSHRGPR84
SCHEMBL6899683 0.78 ABCB1 (0.41) MAPTABCB1ZDHHC7TSHRFAAH
SCHEMBL31114271 0.78 CA2 (0.39) MAPTABCB1ZDHHC7TSHRFAAH

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-0350334-B1 A process for producing fluorine-containing compounds NIPPON MINING CO (JP) 1993-10-27 EP disclosed
US-5126482-A Process for producing fluorine-containing carboxylic acids NIPPON MINING CO., LTD. (JP) 1992-06-30 US disclosed
EP-0350334-A2 A process for producing fluorine-containing compounds NIKKO KYODO CO., LTD. (JP) 1990-01-10 EP disclosed