SCHEMBL11563192

SCHEMBL11563192

COC1(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.64
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
P2RX3 P56373 1/20 0.44
ALOX12 P18054 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11049020 0.85 RORC (0.67) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11804441 0.74 RORC (0.67) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11054922 0.73 MAPT (0.57) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11566094 0.72 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11433388 0.72 RORC (0.49) RORCSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11435252 0.70 RORC (0.47) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11564649 0.69 RORC (0.46) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3931325 0.69 RORC (0.59) RORCMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11565621 0.69 KCNQ3 (0.47) RORCSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11565354 0.69 RORC (0.46) RORCSMN1; SMN2NPC1RAB9AALDH1A1

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