SCHEMBL11569043

SCHEMBL11569043

CCCCC1(C(=O)Nc2ccc(OCc3ccccc3Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
S1PR1 P21453 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CETP P11597 4/20 0.40
TRPV1 Q8NER1 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
BRAF P15056 1/20 0.38
KDR P35968 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
SCHEMBL11566143 0.81 DHODH (0.43) KCNJ5KCNJ3S1PR1MAPTALDH1A1
SCHEMBL11567998 0.80 STK39 (0.45) S1PR1BRAFKDR
SCHEMBL11565663 0.76 BRAF (0.47) S1PR1MAPTMEN1ALDH1A1LMNA
SCHEMBL11564313 0.74 S1PR1 (0.48) S1PR1MAPTMEN1LMNAKMT2A
SCHEMBL11566648 0.73 RXRA (0.47) S1PR1MAPTMEN1LMNAKMT2A
SCHEMBL11561946 0.73 RXRA (0.48) S1PR1MAPTMEN1LMNAKMT2A
SCHEMBL11568138 0.72 MRGPRX4 (0.49) S1PR1MAPTMEN1LMNAKMT2A
SCHEMBL11566583 0.71 EPHX2 (0.42) S1PR1MAPTMEN1LMNAKMT2A
SCHEMBL11425625 0.70 MAPT (0.38) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL11569048 0.70 ADAM17 (0.46) MAPTMEN1LMNAKMT2A

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