SCHEMBL7673944

SCHEMBL7673944

CCOc1cc(OCC(=O)O)c(N(S)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.53
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 6/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6814779 0.91 MEN1 (0.47) RORCMEN1KMT2ALMNATDP1
SCHEMBL6815087 0.91 MEN1 (0.47) RORCMEN1KMT2ALMNATDP1
SCHEMBL6814091 0.82 LMNA (0.47) RORCMEN1KMT2ALMNACYP1A2
SCHEMBL6819553 0.82 MEN1 (0.46) RORCMEN1KMT2ALMNACYP1A2
SCHEMBL6811044 0.79 MEN1 (0.43) RORCMEN1KMT2ALMNACYP1A2
SCHEMBL6816529 0.79 MEN1 (0.43) RORCMEN1KMT2ALMNACYP1A2
SCHEMBL6816236 0.78 RORC (0.73) RORCMEN1KMT2ALMNATDP1
SCHEMBL7673938 0.77 ALDH1A1 (0.67) RORCMEN1KMT2ALMNATDP1
SCHEMBL6811381 0.76 PTPN1 (0.43) RORCMEN1KMT2ALMNATDP1
SCHEMBL6816478 0.76 RORC (0.53) RORCMEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed