SCHEMBL9749008

SCHEMBL9749008

CC1c2ccc(O)cc2OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.40
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
XDH P47989 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CNR2 P34972 1/20 0.35
MGAM O43451 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
SCHEMBL17193858 0.79 ALDH1A1 (0.33) HTR2BSIGMAR1KDM4EALDH1A1BRD4
SCHEMBL17194000 0.78 KCNE1 (0.39)
SCHEMBL29047190 0.76 ESR1 (0.35) TMEM97HTR2BSIGMAR1KDM4EALDH1A1
SCHEMBL9748880 0.74 KDM4E (0.46) TMEM97HTR2BSIGMAR1KDM4EALDH1A1
SCHEMBL15254619 0.72 KCNE1 (0.43) HTR2BKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17929070 0.72 KCNE1 (0.43) HTR2BKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11851898 0.71 MAPT (0.37) TMEM97KDM4EALDH1A1ESR1ESR2
SCHEMBL4038458 0.71 LMNA (0.34) TMEM97HTR2BSIGMAR1KDM4EALDH1A1
SCHEMBL11037376 0.70 KDM4E (0.46) TMEM97HTR2BSIGMAR1KDM4EALDH1A1
SCHEMBL9749669 0.70 ESR1 (0.43) SIGMAR1KDM4EALDH1A1ESR1ESR2

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