SCHEMBL9199834

SCHEMBL9199834

CC(C)c1cc(NC(=S)OC2CCCCC2)cc(C(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.38
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
BCHE P06276 2/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL9201209 0.84 MAPT (0.32) MAPTRECQL
SCHEMBL9198647 0.80 ACHE (0.37) MAPTRECQLKMT2ASMN1; SMN2NPC1
SCHEMBL9199236 0.80 MAPT (0.39) MAPTRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL9196782 0.78 MAPT (0.38) GPR35MAPTRECQLMEN1KMT2A
SCHEMBL9199383 0.76 HPGD (0.47) MAPTRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL9205543 0.75 ALDH1A1 (0.39) MAPTRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL9207049 0.74 GAA (0.36) MAPTRECQLMEN1CYP3A4KMT2A
SCHEMBL9197282 0.72 SLC6A3 (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9200578 0.72 HPGD (0.49) MAPTRECQLMEN1KMT2ACYP1A2
SCHEMBL9201424 0.72 LMNA (0.49) MAPTRECQLMEN1KMT2ASMN1; SMN2

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-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed