SCHEMBL9148444

SCHEMBL9148444

CC(C)(c1ccccc1)c1ccc(OC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ HSD17B10 Q99714 4/20 0.80
▸ MEN1 O00255 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ POLB P06746 2/20 0.80
▸ CYP2D6 P10635 2/20 0.80
▸ ATM Q13315 1/20 0.80
▸ ALDH1A1 P00352 8/20 0.74
▸ KDM4C Q9H3R0 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL9153380 0.91 MAPT (0.65) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL3989897 0.89 KDM4E (1.00) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL8601506 0.86 MAPT (1.00) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL9150050 0.84 ALDH1A1 (0.89) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL9150180 0.84 ALDH1A1 (0.84) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL8605462 0.82 ALDH1A1 (0.77) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL9124673 0.82 MAPT (0.58) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL8654938 0.82 MAPT (0.77) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL9187129 0.82 ALDH1A1 (0.67) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL9187138 0.82 ALDH1A1 (0.67) MAPTKDM4EMEN1KMT2AALDH1A1

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
Send feedback