SCHEMBL9749396

SCHEMBL9749396

CC1(C)CCc2ccc(Oc3ccc(N)cn3)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.44
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
DAGLA Q9Y4D2 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
PPARA Q07869 9/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 1/20 0.36
SCN9A Q15858 2/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL9749356 0.83 ALDH1A1 (0.48) POLBMEN1KMT2AALDH1A1DAGLA
SCHEMBL9748963 0.82 HSPB1 (0.50) MEN1KMT2AALDH1A1RAB9ADAGLA
SCHEMBL2856886 0.76 AKT1 (0.43) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL14158602 0.74 KDM4E (0.50) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL4972696 0.73 CA2 (0.49) PPARASCN9A
SCHEMBL31260287 0.73 CA2 (0.49) PPARASCN9A
SCHEMBL14240467 0.73 KDM4E (0.49) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL16119815 0.72 PPARA (0.52) PPARAPPARGPPARDSCN9A
SCHEMBL6176295 0.72 KDM4E (0.54) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL31260271 0.72 PPARA (0.52) PPARAPPARGPPARDSCN9A

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