SCHEMBL7829959

SCHEMBL7829959

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
HTT P42858 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.38
ELANE P08246 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 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
SCHEMBL7829962 0.79 HPGD (0.44) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7839519 0.78 NPC1 (0.50) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7829273 0.77 KMT2A (0.48) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7840346 0.72 KMT2A (0.42) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7365663 0.71 SMN1; SMN2 (0.50) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7828877 0.69 SRD5A2 (0.42) HPGDMEN1KMT2ARAB9ANPC1
Methyl 3,4-Methylenedioxybenzoate SCHEMBL133049 0.67 NPC1 (0.73) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7838625 0.66 RAB9A (0.49) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7842348 0.65 SRD5A2 (0.56) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7365580 0.65 KMT2A (0.52) HPGDMEN1KMT2ARAB9ANPC1

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
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