SCHEMBL6965670

SCHEMBL6965670

COc1ccccc1C1=CCC(=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
DUSP3 P51452 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
CASP6 P55212 1/20 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
SCHEMBL8764398 0.80 ACHE (0.42) CCNT1CDK9ALDH1A1KDM4EUSP2
SCHEMBL20010828 0.77 MAT2A (0.38) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8763677 0.76 POLL (0.38) CCNT1CDK9ALDH1A1KDM4EMEN1
SCHEMBL628207 0.75 BTK (0.47) CCNT1CDK9L3MBTL1CA1CA2
SCHEMBL3844077 0.74 PTGS2 (0.45) PTGS2L3MBTL1ALDH1A1APPKDM4E
SCHEMBL7554896 0.74 KDM4E (0.38) CCNT1CDK9L3MBTL1ALDH1A1KDM4E
SCHEMBL6955733 0.74 KDM4E (0.36) KDM4EMEN1MAPTKMT2APTPRC
SCHEMBL8631678 0.74 CYP2A6 (0.38) L3MBTL1ALDH1A1KDM4EMAPTPTPRC
SCHEMBL6602348 0.73 KDM4E (0.44) CCNT1CDK9ALDH1A1KDM4EMAPT
SCHEMBL8586239 0.72 PTGS2 (0.48) PTGS2L3MBTL1ALDH1A1APPKDM4E

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-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed