SCHEMBL6950752

SCHEMBL6950752

COCCCOc1cc(C(=O)O)cc2c(OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.50
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47
CDC25B P30305 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TPMT P51580 1/20 0.42

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
SCHEMBL1812865 0.88 MRGPRX4 (0.51) MRGPRX4LTB4RLTB4R2CDC25BCA12
SCHEMBL6041628 0.85 CDC25B (0.49) CDC25BMEN1KMT2ANPC1CYP2C9
SCHEMBL1812029 0.84 CA12 (0.55) MRGPRX4LTB4RLTB4R2CDC25BCA12
SCHEMBL6042990 0.83 MRGPRX4 (0.46) MRGPRX4LTB4RLTB4R2CDC25BCA12
SCHEMBL13132193 0.81 MRGPRX4 (0.45) MRGPRX4KMT2AKDM4EALDH1A1HPGD
SCHEMBL6042539 0.78 SMN1; SMN2 (0.42) MRGPRX4PKMMEN1KMT2ANPC1
SCHEMBL6955384 0.78 TSHR (0.59) MRGPRX4LTB4RLTB4R2CDC25BCA12
SCHEMBL30683868 0.77 TSHR (0.69) MRGPRX4CA12CA1CA2CA4
SCHEMBL89386 0.77 TSHR (0.69) MRGPRX4CA12CA1CA2CA4
SCHEMBL88998 0.77 CA12 (0.67) CA12CA1CA2CA4CA6

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed