SCHEMBL7971081

SCHEMBL7971081

Cc1cc(-c2c(C)c(C(=O)O)cc(C)c2S(C)(=O)=O)on1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 5/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 2/20 0.33
RARA P10276 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6587430 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL7988667 0.79 KDM4E (0.31) ALDH1A1KDM4EUSP2TSHR
SCHEMBL7988196 0.74 KDM4E (0.50) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL8135897 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL6587396 0.70 KDM4E (0.40) ALDH1A1KDM4EUSP2TSHRLMNA
SCHEMBL6585945 0.68 KMT2A (0.43) ALDH1A1KDM4EUSP2TSHRLMNA
SCHEMBL5704533 0.67 LMNA (0.48) ALDH1A1KDM4EUSP2TSHRLMNA
SCHEMBL7980960 0.67 KDM4E (0.39) ALDH1A1KDM4EUSP2TSHRHCAR2
SCHEMBL8517597 0.66 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMAPK1KMT2A
SCHEMBL8687749 0.66 LMNA (0.34) ALDH1A1LMNAMAPK1KMT2AMEN1

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-6245716-B1 LOW DOSAGE; NONPHYTOTOXIC NIPPON SODA CO., LTD. (JP) 2001-06-12 US disclosed