Propene

Propene

SCHEMBL7714959

C=CC.COC(=O)c1ccccc1N1CCC(=O)CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
CFTR P13569 1/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL7715935 0.93 MYC (0.54) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL23708768 0.79 NPC1 (0.60) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL5742226 0.77 MYC (0.55) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL29232403 0.76 MYC (0.54) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL7743758 0.76 GAA (0.59) MYCKMT2AMEN1POLBGAA
SCHEMBL112024 0.76 ADRB1 (0.55) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
Dimethyl Phthalate SCHEMBL28146247 0.75 TSHR (0.61) MYCSMN1; SMN2KMT2APOLBALOX15
SCHEMBL16055267 0.75 CYP1A2 (0.40) MYCSMN1; SMN2KMT2AL3MBTL1GAA
SCHEMBL16056417 0.75 KMT2A (0.39) MYCSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL17893724 0.75 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed