SCHEMBL9133264

SCHEMBL9133264

CCC=Cc1ccc(OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.66
▸ NQO1 P15559 1/20 0.58
▸ ESR1 P03372 2/20 0.58
▸ AHR P35869 1/20 0.58
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53

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
SCHEMBL18911081 1.00 RELA (0.66) RELANQO1ESR1AHRNPC1
SCHEMBL8986278 1.00 RELA (0.66) RELANQO1ESR1AHRNPC1
SCHEMBL10623831 0.87 RELA (0.83) RELANQO1ESR1AHRNPC1
SCHEMBL10623834 0.87 RELA (0.83) RELANQO1ESR1AHRNPC1
SCHEMBL4630860 0.84 RELA (0.61) RELANQO1ESR1AHRNPC1
SCHEMBL4630859 0.84 RELA (0.61) RELANQO1ESR1AHRNPC1
SCHEMBL6194304 0.84 RELA (0.61) RELANQO1ESR1AHRNPC1
SCHEMBL18905531 0.84 RELA (0.47) RELAESR1AHRNPC1RAB9A
SCHEMBL2622560 0.83 RELA (0.70) RELANQO1ESR1AHRNPC1
SCHEMBL11738267 0.82 RELA (0.59) RELANQO1ESR1AHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 — — US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 — — EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 — — US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 — — EP disclosed
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