SCHEMBL7829962

SCHEMBL7829962

COC(=O)c1nc(COCOCC[Si](C)(C)C)ccc1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL7828877 0.91 SRD5A2 (0.42) HPGDRAB9ANPC1SMN1; SMN2HTT
SCHEMBL7829273 0.82 KMT2A (0.48) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7829959 0.79 HPGD (0.44) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7839519 0.77 NPC1 (0.50) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7840346 0.71 KMT2A (0.42) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7365663 0.71 SMN1; SMN2 (0.50) HPGDRAB9ANPC1SMN1; SMN2CASP3
Methyl 3,4-Methylenedioxybenzoate SCHEMBL133049 0.66 NPC1 (0.73) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7838625 0.66 RAB9A (0.49) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4899912 0.65 FFAR4 (0.39) HPGDRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7842348 0.65 SRD5A2 (0.56) HPGDRAB9ANPC1SMN1; SMN2ALDH1A1

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