SCHEMBL7828877

SCHEMBL7828877

C[Si](C)(C)CCOCOCc1ccc(C(=O)c2ccc3c(c2)OCO3)c(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
IGFBP3 P17936 2/20 0.40
NPC1 O15118 4/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.38
SLC6A4 P31645 1/20 0.38
LTC4S Q16873 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7829962 0.91 HPGD (0.44) RAB9ASMN1; SMN2HPGDHTTALDH1A1
SCHEMBL7842348 0.75 SRD5A2 (0.56) SRD5A2RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7829273 0.72 KMT2A (0.48) SRD5A2RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7829959 0.69 HPGD (0.44) RAB9ASMN1; SMN2HPGDHTTALDH1A1
SCHEMBL7367755 0.67 SRD5A2 (0.57) SRD5A2RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL7839519 0.66 NPC1 (0.50) SRD5A2RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL13548377 0.65 SRD5A2 (0.71) SRD5A2RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7532873 0.64 SRD5A2 (0.69) SRD5A2RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4841835 0.64 SRD5A2 (0.56) SRD5A2RAB9ASMN1; SMN2HPGDHTT
SCHEMBL7384377 0.63 MAPT (0.62) SRD5A2RAB9ASMN1; SMN2ALDH1A1MAPK1

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-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed