SCHEMBL6836717

SCHEMBL6836717

O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 4/20 0.53
GRM5 P41594 3/20 0.53
MAOB P27338 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TSHR P16473 4/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7439487 0.84 KMT2A (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21323158 0.82 TSHR (0.68) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22978668 0.80 GRM5 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6293635 0.78 ALDH1A1 (0.51) NPC1RAB9AALDH1A1HPGDGRM5
SCHEMBL6832861 0.78 NPC1 (0.60) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29446216 0.78 GRM5 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL670311 0.78 GRM5 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15158561 0.78 MAOA (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6836955 0.77 MAOB (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL30353218 0.77 MAOB (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed