SCHEMBL7987708

SCHEMBL7987708

O=C(O)[C@@H](c1ccccc1OCc1ccccc1)[C@@H](O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 2/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7975824 1.00 SGMS2 (0.52) SGMS2KMT2AALDH1A1MEN1CYSLTR2
SCHEMBL7990641 1.00 SGMS2 (0.52) SGMS2KMT2AALDH1A1MEN1CYSLTR2
SCHEMBL7987324 0.83 ALDH1A1 (0.47) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7989643 0.79 SGMS2 (0.50) SGMS2KMT2AALDH1A1MEN1CNR2
SCHEMBL7990565 0.79 SGMS2 (0.50) SGMS2KMT2AALDH1A1MEN1CNR2
SCHEMBL10368444 0.77 SGMS2 (0.50) SGMS2KMT2AALDH1A1MEN1CNR2
SCHEMBL8817317 0.77 SGMS2 (0.48) SGMS2KMT2AALDH1A1MEN1PTGER1
SCHEMBL7975980 0.77 SGMS2 (0.48) SGMS2KMT2AALDH1A1MEN1PTGER1
SCHEMBL3099590 0.74 FABP4 (0.57) SGMS2ALDH1A1KDM4ETDP1PTGER1
SCHEMBL11603988 0.72 MAPT (0.55) SGMS2ALDH1A1KDM4ETDP1

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 — — US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 — — EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 — — WO disclosed
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