SCHEMBL7962440

SCHEMBL7962440

COc1cc([C@H](CO)C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
F2 P00734 3/20 0.55
F10 P00742 3/20 0.55
PRSS1 P07477 3/20 0.55
F7 P08709 3/20 0.55
PRSS2 P07478 1/20 0.55
F3 P13726 1/20 0.55
PRSS3 P35030 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
APP P05067 4/20 0.53
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 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
SCHEMBL7962444 1.00 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL6373010 1.00 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL6366936 0.88 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL6366870 0.85 PPARG (0.57) SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL6369033 0.85 PPARG (0.57) SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL3959294 0.85 PPARG (0.57) SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL9808697 0.84 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL27476068 0.84 NPC1 (0.58) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL9416618 0.82 MMP1 (0.55) SMN1; SMN2F2F10PRSS1F7
SCHEMBL7134086 0.81 CA1 (0.54) HPGDNPC1RAB9ASMN1; SMN2F2

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
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed