SCHEMBL7986911

SCHEMBL7986911

CC(C)C[C@H](NC(=O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.47
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
ACE P12821 1/20 0.44
CTSK P43235 4/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 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
SCHEMBL7993650 0.91 EDNRA (0.49) EDNRAACENPC1ALDH1A1TP53
SCHEMBL7976824 0.87 HPGD (0.46) TAS1R3TAS1R1NPC1ALDH1A1TP53
SCHEMBL7993759 0.82 MME (0.52) ACEALDH1A1TSHRHPGDCTSL
SCHEMBL29272959 0.76 TAS1R3 (0.74) TAS1R3TAS1R1ACENPC1ALDH1A1
SCHEMBL29272957 0.76 TAS1R3 (0.74) TAS1R3TAS1R1ACENPC1ALDH1A1
SCHEMBL7988173 0.75 SMN1; SMN2 (0.53) TP53MAPTSMN1; SMN2IL1RNERAP2
SCHEMBL7977103 0.75 EDNRA (0.49) EDNRAACENPC1ALDH1A1TP53
SCHEMBL7987574 0.73 MAPK1 (0.53) ACESMN1; SMN2
SCHEMBL7990351 0.73 MAPK1 (0.53) ACESMN1; SMN2
SCHEMBL18791071 0.73 PSMB5 (0.60) CTSKALDH1A1TSHRSMN1; SMN2PSMB5

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 2 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
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed