SCHEMBL9219367

SCHEMBL9219367

CCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.44
CES1 P23141 2/20 0.44
BLM P54132 3/20 0.42
GMNN O75496 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 2/20 0.42
APEX1 P27695 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G4B P0C869 1/20 0.39
PLA2G4A P47712 1/20 0.39

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
SCHEMBL9220287 1.00 FAAH (0.44) FAAHCES1BLMGMNNUSP2
SCHEMBL8380159 1.00 FAAH (0.44) FAAHCES1BLMGMNNUSP2
SCHEMBL4924476 1.00 FAAH (0.44) FAAHCES1BLMGMNNUSP2
SCHEMBL10341367 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL9219740 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL14172957 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL10430273 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL9226897 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL10341365 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2
SCHEMBL9226908 0.98 FAAH (0.43) FAAHCES1BLMGMNNUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420987-A1 Process for preparing fluoroalkyl derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-10 EP claimed
EP-0420987-B1 Process for preparing fluoroalkyl derivatives NIPPON OILS & FATS CO LTD (JP) 1995-05-03 EP disclosed
US-5118879-A Used in the synthesis of medicinal and agricultural chemicals and water- and oil-repellent agents NIPPON OIL AND FATS CO., LTD. (JP) 1992-06-02 US disclosed
EP-0420987-A1 Process for preparing fluoroalkyl derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-10 EP disclosed