SCHEMBL9217767

SCHEMBL9217767

CCCCCCC(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 2/20 0.31
CYP2D6 P10635 2/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CETP P11597 1/20 0.30
HTT P42858 1/20 0.30
UBE2N P61088 1/20 0.30
LAP3 P28838 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
SCHEMBL9225476 1.00 OPRM1 (0.32) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9227206 1.00 OPRM1 (0.32) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9224923 1.00 OPRM1 (0.32) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9225013 0.98 OPRM1 (0.33) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9222681 0.98 OPRM1 (0.33) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9217810 0.98 OPRM1 (0.33) OPRM1SPHK1MAPTTP53LMNA
SCHEMBL9222383 0.93
SCHEMBL26087512 0.84 LMNA (0.38) OPRM1MAPTLMNACYP1A2
SCHEMBL18499754 0.82 LMNA (0.41) OPRM1MAPTLMNA
SCHEMBL26086350 0.82 LMNA (0.39) OPRM1MAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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