SCHEMBL11499435

SCHEMBL11499435

Cc1ccc(C)c(N(CC(=O)O)C(=O)CSC(=O)c2ccco2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
PTPN1 P18031 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 2/20 0.34
APOBEC3A P31941 1/20 0.34
ESR2 Q92731 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL11287606 0.91 HSD17B10 (0.35) ATMPTPN1ALDH1A1POLBHPGD
SCHEMBL11337851 0.91 PTPN1 (0.33) ATMPTPN1THRBALDH1A1POLB
SCHEMBL11289135 0.91 OPRM1 (0.39) ATMPTPN1ALDH1A1POLBHPGD
SCHEMBL11272650 0.88 ALDH1A1 (0.36) ATMTHRBALDH1A1POLBHPGD
SCHEMBL11296934 0.82 KMT2A (0.50) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL11270955 0.80 LMNA (0.35) ATMALDH1A1POLBHPGDTDP1
SCHEMBL11282776 0.80 ALDH1A1 (0.35) ATMALDH1A1POLBHPGDTDP1
SCHEMBL11290058 0.79 HDAC3 (0.31)
SCHEMBL11280601 0.79 S1PR4 (0.39) ATMALDH1A1POLBHPGDTDP1
SCHEMBL11289843 0.77 MAPT (0.38) ATMALDH1A1POLBHPGDL3MBTL1

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
EP-0014167-A1 Aniline derivatives with antifungal activity and process for their preparation RHONE-POULENC AGROCHIMIE (FR) 1980-08-06 EP disclosed