SCHEMBL8616299

SCHEMBL8616299

Clc1ncc(-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GSTP1 P09211 2/20 0.53
MAOB P27338 3/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL8614184 0.85 PRMT5 (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL457443 0.84 P4HTM (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL197017 0.84 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27756406 0.82 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL23483029 0.82 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1096817 0.82 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8617206 0.80 RAB9A (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7092038 0.80 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8612030 0.79 RAB9A (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12781986 0.79 ENPP3 (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed