SCHEMBL7757660

SCHEMBL7757660

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC=Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 2/20 0.33
TK1 P04183 3/20 0.33
KDM5B Q9UGL1 1/20 0.32
PPARG P37231 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANXA2 P07355 1/20 0.32
S100A10 P60903 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7757657 1.00 TSHR (0.36) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL1484872 0.85 ALDH1A1 (0.34) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL1484869 0.85 ALDH1A1 (0.34) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL7757632 0.85 ALDH1A1 (0.34) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL7759865 0.84 TP53 (0.35) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL7757681 0.84 TP53 (0.35) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL7757668 0.84 TP53 (0.35) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL6086817 0.83 HPGD (0.43) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL6087870 0.82 SMN1; SMN2 (0.38) TSHRTP53MAPTALDH1A1LMNA
SCHEMBL7756553 0.81 TSHR (0.37) TSHRTP53MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed