SCHEMBL9511965

SCHEMBL9511965

CC/C=C/CC(F)(C(=O)O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP19A1 P11511 4/20 0.35
PPARG P37231 3/20 0.35
OXER1 Q8TDS5 3/20 0.35
MAPT P10636 3/20 0.35
RXRA P19793 2/20 0.35
FFAR1 O14842 2/20 0.35
PTGS1 P23219 3/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
PPARA Q07869 3/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL9511968 1.00 ALDH1A1 (0.35) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL9509789 0.84 FAAH (0.36) ALDH1A1CYP19A1PPARGMAPTPTGS1
SCHEMBL9509784 0.84 FAAH (0.36) ALDH1A1CYP19A1PPARGMAPTPTGS1
SCHEMBL9509746 0.81 F7 (0.46) ALDH1A1CYP19A1PPARGMAPTPTGS1
SCHEMBL9509748 0.81 F7 (0.46) ALDH1A1CYP19A1PPARGMAPTPTGS1
SCHEMBL9508324 0.81
SCHEMBL9508352 0.81
SCHEMBL9508349 0.81
SCHEMBL9508326 0.81
SCHEMBL9509792 0.80 FAAH (0.51) ALDH1A1CYP19A1PPARGMAPTFFAR1

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 2 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