SCHEMBL7353752

SCHEMBL7353752

CCOC(=O)C(=Cc1ccccc1OCC)C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
MAPT P10636 7/20 0.68
LMNA P02545 3/20 0.68
PLIN1 O60240 1/20 0.68
POLB P06746 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
GLO1 Q04760 2/20 0.47
USP2 O75604 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL10452873 1.00 MEN1 (0.68) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL11768331 0.93 MAPT (0.78) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10672992 0.89 KMT2A (0.65) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10672989 0.89 KMT2A (0.65) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10756378 0.89 KMT2A (0.86) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10756388 0.89 KMT2A (0.86) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL15026368 0.89 KMT2A (0.86) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10570850 0.86 LMNA (0.57) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL16672718 0.85 LMNA (0.58) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL11547965 0.85 MEN1 (0.63) MEN1KMT2AMAPTLMNAPLIN1

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
US-4898877-A ANTIARRHYTHMIA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
EP-0280992-A1 Cyclohexene carboxylic-acid esters, process for their preparation and their use BAYER AG (DE) 1988-09-07 EP disclosed