SCHEMBL7990565

SCHEMBL7990565

O=C(O)[C@H](Cc1ccccc1OCc1ccccc1)[C@H](O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTGER1 P34995 5/20 0.46
▸ PTGER4 P35408 5/20 0.46
▸ PTGER3 P43115 5/20 0.46
▸ PTGER2 P43116 5/20 0.46
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL7989643 1.00 SGMS2 (0.50) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL8817317 0.89 SGMS2 (0.48) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL7975980 0.89 SGMS2 (0.48) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL7975883 0.84 POLB (0.47) ALDH1A1MEN1KMT2AGAA
SCHEMBL7990821 0.82 TDP1 (0.47) SGMS2ALDH1A1MEN1KMT2ATSHR
SCHEMBL7975824 0.79 SGMS2 (0.52) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL7987708 0.79 SGMS2 (0.52) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL7990641 0.79 SGMS2 (0.52) SGMS2ALDH1A1MEN1KMT2APTGER1
SCHEMBL7975993 0.76 ERAP1 (0.53) —
SCHEMBL7250367 0.76 HTR1A (0.54) SGMS2ALDH1A1MEN1KMT2APTGER1

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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