SCHEMBL9749477

SCHEMBL9749477

CC1Oc2cc(O)ccc2C1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 4/20 0.41
CYP3A4 P08684 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP19A1 P11511 1/20 0.37
TYR P14679 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 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
SCHEMBL13899934 0.83 PTGES (0.46) ESR1ESR2CYP3A4PTGESALOX5
SCHEMBL17193805 0.79 HTR2C (0.36) MAOBBRD4CREBBPALDH1A1
SCHEMBL14350586 0.78 AHR (0.40) ALDH1A1
SCHEMBL14827252 0.76 TDP1 (0.47) CA2CA5ATDP1PTGS2TYR
SCHEMBL435247 0.75 POLB (0.39) ESR1ESR2CYP3A4BRD4CREBBP
SCHEMBL12746564 0.75 BRD4 (0.38) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL530687 0.75 POLB (0.39) ESR1ESR2CYP3A4BRD4CREBBP
SCHEMBL15211580 0.75 POLB (0.39) ESR1ESR2CYP3A4BRD4CREBBP
SCHEMBL9749181 0.73 CYP3A4 (0.46) ESR1ESR2CYP3A4MAOAMAOB
SCHEMBL14086693 0.73 MEN1 (0.46) ESR1ESR2CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7510820-B2 Resist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7416833-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070122740-A1 Resist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-31 US disclosed
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