SCHEMBL8612504

SCHEMBL8612504

CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.51
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MME P08473 1/20 0.49
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 1/20 0.43
GAA P10253 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
SCHEMBL28426554 0.82 ALDH1A1 (0.56) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL8241745 0.81 EPHX1 (0.58) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL11890375 0.79 RAB9A (0.58) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL9083123 0.78 HPGD (0.54) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL2447962 0.78 HPGD (0.54) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL2447963 0.78 HPGD (0.54) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL14748252 0.76 HPGD (0.55) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL3241644 0.76 EPHX1 (0.53) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL5907626 0.76 HPGD (0.55) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19
SCHEMBL11890370 0.76 RAB9A (0.54) SMN1; SMN2HPGDRAB9ACYP3A4CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed