SCHEMBL9579489

SCHEMBL9579489

CC(C)(C)c1cc(C[CH]c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
TNFRSF1A P19438 1/20 0.50
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 2/20 0.46
GABBR2 O75899 2/20 0.45
GABBR1 Q9UBS5 2/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL10589899 0.84 TNFRSF1A (0.55) MEN1KMT2AGAATNFRSF1AALDH1A1
SCHEMBL11229435 0.84 TNFRSF1A (0.55) MEN1KMT2AGAATNFRSF1AALDH1A1
SCHEMBL8751538 0.76 ALDH1A1 (0.57) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL10724006 0.76 ALDH1A1 (0.57) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL9855739 0.75 GAA (0.57) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL1187217 0.75 MEN1 (0.57) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL10964373 0.75 TNFRSF1A (0.55) MEN1KMT2AGAATNFRSF1AALDH1A1
SCHEMBL4729051 0.74 ALDH1A1 (0.65) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL5507011 0.74 ALDH1A1 (0.55) MEN1KMT2AGAAALDH1A1TSHR
Benzene SCHEMBL9807217 0.74 ALDH1A1 (0.59) MEN1KMT2AGAAALDH1A1TSHR

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-5210118-A Phenyl-3-Pyrazolidinones CIBA-GEIGY CORPORATION (US) 1993-05-11 US claimed