SCHEMBL11032040

SCHEMBL11032040

CCC1CCC(C2CCC(C(=O)Oc3c(F)cccc3F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 1/20 0.35
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL11032038 1.00 SMN1; SMN2 (0.41) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11222381 0.85 L3MBTL1 (0.51) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11222382 0.85 L3MBTL1 (0.51) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11220517 0.85 MAPK1 (0.34) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11220519 0.85 MAPK1 (0.34) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11237508 0.84 F2 (0.32) SMN1; SMN2POLBKMT2AMEN1TDP1
SCHEMBL28931967 0.84 KMT2A (0.49) SMN1; SMN2POLBKDM4ETSHRKMT2A
SCHEMBL11130670 0.80 KMT2A (0.49) SMN1; SMN2POLBKMT2ATDP1ALDH1A1
SCHEMBL11293857 0.79 ELANE (0.54) SMN1; SMN2POLBTSHRKMT2AMEN1
SCHEMBL11293859 0.79 ELANE (0.54) SMN1; SMN2POLBTSHRKMT2AMEN1

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
JP-59082346-A None JP disclosed
JP-S5982346-A CYCLOHEXANECARBOXYLIC ACID DIFLUOROPHENOL ESTER CHISSO CORP 1984-05-12 JP disclosed