SCHEMBL10377342

SCHEMBL10377342

CCOC(=O)C(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.68
KMT2A Q03164 6/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSP90AA1 P07900 1/20 0.55
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NR4A2 P43354 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL10377341 1.00 NR1H4 (0.68) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL4778481 0.87 KMT2A (0.61) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL4778485 0.87 KMT2A (0.61) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL9297690 0.87 KMT2A (0.61) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL10376667 0.86 NR1H4 (0.57) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL10376666 0.86 NR1H4 (0.57) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL6041621 0.81 NR1H4 (1.00) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL5860473 0.80 MEN1 (0.72) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL10375338 0.79 ATM (0.59) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL10375339 0.79 ATM (0.59) NR1H4KMT2AMAPTMEN1ALDH1A1

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed