SCHEMBL7056679

SCHEMBL7056679

O=C(C[C@H](O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.82
MMP12 P39900 5/20 0.58
MMP13 P45452 4/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP14 P50281 1/20 0.58
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TSHR P16473 1/20 0.52
TRPA1 O75762 2/20 0.50
HPGD P15428 2/20 0.49
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL3098283 1.00 DPP4 (0.82) DPP4MMP12MMP13MMP2MMP9
SCHEMBL29359947 0.90 DPP4 (1.00) DPP4MMP12MMP13MMP2MMP9
SCHEMBL29141353 0.88 DPP4 (0.66) DPP4MMP12MMP13MMP2MMP9
SCHEMBL27613473 0.84 NPC1 (0.61) DPP4MMP12MMP13MMP2MMP9
SCHEMBL4745347 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL8333817 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL687094 0.83 MMP12 (0.80) DPP4MMP12MMP13MMP2MMP9
SCHEMBL28575145 0.81 DPP4 (0.57) DPP4TDP1NPC1TSHRTRPA1
SCHEMBL3102740 0.81 TRPA1 (0.59) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL6444313 0.80 MMP12 (0.60) DPP4MMP12MMP13MMP2MMP9

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-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed