SCHEMBL9749552

SCHEMBL9749552

CC1=CC(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
HSPB1 P04792 3/20 0.43
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 5/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A2 P31213 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FFAR1 O14842 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL9748346 0.70 KDM4E (0.42) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL2011179 0.70 HSPB1 (0.79) ALDH1A1HTTHSPB1KDM4EKMT2A
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.70 HSPB1 (0.79) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL9183872 0.70 HSPB1 (0.79) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL11689190 0.70 HSPB1 (0.79) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL11414546 0.70 ALDH1A1 (0.63) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL31448122 0.70 ALDH1A1 (0.63) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL8695353 0.69 HSD17B10 (0.75) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL8004928 0.68 HSPB1 (0.56) ALDH1A1HTTHSPB1KDM4EKMT2A
SCHEMBL311582 0.68 KMT2A (0.73) ALDH1A1HTTHSPB1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed