SCHEMBL10692822

SCHEMBL10692822

CC(C)(C)c1ccc(C2CCC2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
TRPV1 Q8NER1 1/20 0.43
FFAR1 O14842 2/20 0.43
HTT P42858 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTGER2 P43116 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NR2F2 P24468 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A2 P31213 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1474207 0.88 FFAR1 (0.55) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL301271 0.88 FFAR1 (0.55) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL10288267 0.88 FFAR1 (0.55) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL2778214 0.80 FFAR1 (0.48) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL2778217 0.80 FFAR1 (0.48) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL15590483 0.77 AKR1C3 (0.55) SLC6A2FFAR1LMNAMAPTMAOA
SCHEMBL1073458 0.77 AKR1C3 (0.55) SLC6A2FFAR1LMNAMAPTMAOA
SCHEMBL9820868 0.77 TRPV1 (0.50) SLC6A2TRPV1FFAR1HTTTDP1
SCHEMBL13008796 0.77 AKR1C3 (0.65) SLC6A2TRPV1RAB9ANPC1ALDH1A1
SCHEMBL12999402 0.76 HTT (0.51) SLC6A2TRPV1FFAR1HTTTDP1

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
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed