SCHEMBL9428945

SCHEMBL9428945

CC(C)(C)c1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.67
FEN1 P39748 1/20 0.67
ALDH1A1 P00352 4/20 0.64
HPGD P15428 4/20 0.64
NQO2 P16083 1/20 0.56
KDM4E B2RXH2 3/20 0.53
SCN5A Q14524 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.51
RPA1 P27694 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
SRD5A2 P31213 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL1772679 0.85 ALDH1A1 (0.84) ALDH1A1HPGDKDM4ERPA1NR4A1
SCHEMBL3744237 0.83 ALDH1A1 (0.64) ERCC5FEN1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL10434191 0.81 ALDH1A1 (0.62) ERCC5FEN1ALDH1A1HPGDKDM4E
SCHEMBL3417241 0.81 ALDH1A1 (0.67) ERCC5FEN1ALDH1A1HPGDKDM4E
SCHEMBL12867865 0.81 PRKDC (0.51) ERCC5FEN1ALDH1A1HPGDNQO2
SCHEMBL242273 0.80 ALDH1A1 (0.70) ALDH1A1HPGDNQO2KDM4ERPA1
SCHEMBL14138088 0.79 NQO2 (0.57) ERCC5FEN1ALDH1A1HPGDNQO2
SCHEMBL9613179 0.79 ALDH1A1 (0.68) ERCC5FEN1ALDH1A1HPGDNQO2
SCHEMBL307282 0.77 ALDH1A1 (0.92) ERCC5FEN1ALDH1A1HPGDKDM4E
SCHEMBL4896906 0.77 ALDH1A1 (0.66) ALDH1A1HPGDNQO2KDM4ENR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed