SCHEMBL9314775

SCHEMBL9314775

CCOC(=O)C(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.35
MLYCD O95822 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL9315502 1.00 POLB (0.39) POLBKDM4EMAPTKMT2ALMNA
SCHEMBL9315410 0.82 POLB (0.50) POLBKDM4EMAPTKMT2ANPSR1
SCHEMBL9314753 0.81 PTGS2 (0.46) MAPTKMT2ALMNATSHR
SCHEMBL9315517 0.81 PTGS2 (0.46) MAPTKMT2ALMNATSHR
SCHEMBL13410336 0.78 CA1 (0.51) POLBKDM4EMAPTKMT2ALMNA
SCHEMBL12267961 0.77 NR1H4 (0.47) MAPTLMNASMN1; SMN2
SCHEMBL24208336 0.74 POLB (0.38) POLBKMT2ALMNATSHRMLYCD
SCHEMBL11857185 0.74 MAPT (0.47) KDM4EMAPTKMT2ALMNAHTT
SCHEMBL29120823 0.74 PTPN5 (0.46)
SCHEMBL3279844 0.73 KMT2A (0.47) KMT2ALMNATSHRHTTSMN1; SMN2

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
US-5302752-A Acetic acid derivatives and their production ETHYL CORPORATION (US) 1994-04-12 US disclosed
EP-0426333-A2 Acetic acid derivatives and their production ETHYL CORPORATION (US) 1991-05-08 EP disclosed