SCHEMBL9749678

SCHEMBL9749678

COC1(C)CCc2cc(Oc3ccc(N)cc3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
AKT1 P31749 1/20 0.40
DAGLA Q9Y4D2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ABHD6 Q9BV23 2/20 0.36
TEAD4 Q15561 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
SCHEMBL9847588 0.90 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9748815 0.78 MMP2 (0.41) MAPK1SMN1; SMN2DAGLAMAPTMEN1
SCHEMBL10731723 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2DAGLAMAPT
SCHEMBL9847605 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1PPARGPPARA
SCHEMBL9847593 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2AKT1MAPT
SCHEMBL10434159 0.76 KDM4E (0.37) AKT1MAPTGAAHRH3
SCHEMBL9749407 0.75 AKT1 (0.51) ALDH1A1AKT1MAPTGAA
SCHEMBL9749356 0.74 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2DAGLAMAPT
SCHEMBL11708131 0.73 MAOB (0.50) ALDH1A1SMN1; SMN2PPARGPPARAHRH3
SCHEMBL9847551 0.71 PPARG (0.43) ALDH1A1MAPK1SMN1; SMN2PPARGPPARA

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