SCHEMBL9150853

SCHEMBL9150853

CC(C)(C)c1ccc(OC(=O)Nc2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 1/20 0.59
CYP2D6 P10635 1/20 0.59
ATM Q13315 1/20 0.59
HCAR2 Q8TDS4 1/20 0.53
PPARG P37231 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
AKR1C3 P42330 1/20 0.43

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
SCHEMBL8654528 0.85 ALDH1A1 (0.56) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9147100 0.85 HSD17B10 (0.48) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL8657664 0.85 HSD17B10 (0.51) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9150490 0.85 TRPV1 (0.52) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL8657491 0.85 ALDH1A1 (0.56) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL8658139 0.83 KMT2A (0.51) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9153663 0.83 KDM4E (0.51) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9147813 0.83 KDM4E (0.61) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9147350 0.82 MAPT (0.56) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL9153561 0.81 ALDH1A1 (0.46) KDM4EMAPTMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US claimed
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed
US-5399623-A Semiconductors with sealing rubbers DAIKIN INDUSTRIES, LTD. (JP) 1995-03-21 US disclosed
US-5346878-A Preservation stability of white portions and images MITSUI TOATSU CHEMICALS, INC. (JP) 1994-09-13 US disclosed
EP-0607457-A1 VULCANIZING FLUORORUBBER COMPOSITION DAIKIN INDUSTRIES, LTD. (JP) 1994-07-27 EP disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed