SCHEMBL7982121

SCHEMBL7982121

CC1(C)CC(c2ccc3cccc(O)c3n2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.49
PLAU P00749 1/20 0.45
NCF1 P14598 1/20 0.45
PIM1 P11309 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
METAP1 P53582 8/20 0.43
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
SOS2 Q07890 1/20 0.41
MMP2 P08253 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7751023 0.80 METAP2 (0.39) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL7749787 0.80 METAP2 (0.39) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL14921560 0.78 METAP2 (0.47) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL6444605 0.78 METAP2 (0.47) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL14921519 0.75 METAP2 (0.45) METAP2PLAUNCF1PIM1ALDH1A1
Hydrochloric Acid SCHEMBL5833545 0.74 METAP2 (0.44) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL15668088 0.71 GAA (0.48) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL10982506 0.71 METAP2 (0.47) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL21767732 0.69 METAP2 (0.63) METAP2PLAUNCF1PIM1ALDH1A1
SCHEMBL17931874 0.69 METAP2 (0.53) METAP2PLAUNCF1PIM1ALDH1A1

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-6297401-B1 A 3-NITROSALICYLAMIDE DERIVATIVE EFFECTIVE AGAINST PLANT PYTOPATHOGENS DOW AGROSCIENCES LLC 2001-10-02 US disclosed