SCHEMBL11564313

SCHEMBL11564313

CCCC1(C(=O)Nc2ccc(OCCC(C)C)c(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UBE2M P61081 1/20 0.38

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
SCHEMBL11566648 0.85 RXRA (0.47) S1PR1MAPTKDM4EMEN1HTT
SCHEMBL11566583 0.84 EPHX2 (0.42) S1PR1MAPTKDM4EMEN1HTT
SCHEMBL11433759 0.77 CETP (0.41) MAPTHTTCYP2C9CYP2C19LMNA
SCHEMBL11565226 0.77 BRAF (0.47) S1PR1SCN8ASCN10AMAPTKDM4E
SCHEMBL11567211 0.76 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2ACYP2D6
SCHEMBL11432632 0.75 RORC (0.40) S1PR1MAPTHTTCYP2C9CYP2C19
SCHEMBL11569043 0.74 KCNJ5 (0.45) S1PR1MAPTMEN1KMT2ALMNA
SCHEMBL11567998 0.73 STK39 (0.45) S1PR1SCN8ASCN10AUBE2MDCUN1D1
SCHEMBL11566143 0.72 DHODH (0.43) S1PR1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL11563745 0.72 BRAF (0.44) S1PR1MAPTKDM4EMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed