SCHEMBL8199822

SCHEMBL8199822

CCOCCCOC=Cc1ccc(OCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.51
ESR1 P03372 2/20 0.46
AHR P35869 2/20 0.46
PTPN1 P18031 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PTGS2 P35354 1/20 0.44
NQO1 P15559 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL7270826 0.83 RELA (0.58) RELAESR1AHRNPC1RAB9A
SCHEMBL5373678 0.82 RELA (0.43) RELANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5604535 0.81 RELA (0.63) RELAESR1AHRNPC1RAB9A
SCHEMBL10623831 0.75 RELA (0.83) RELAESR1AHRNPC1RAB9A
SCHEMBL10623834 0.75 RELA (0.83) RELAESR1AHRNPC1RAB9A
SCHEMBL20024736 0.74 RELA (0.58) RELAESR1AHRPTPN1MAPT
SCHEMBL158084 0.73 POLB (0.59) PTPN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2622560 0.72 RELA (0.70) RELAESR1AHRNPC1RAB9A
SCHEMBL6795292 0.71 RELA (0.46) RELAAHRPTGS2TUBB4ATUBB
SCHEMBL2898682 0.71 RELA (0.46) RELARAB9AMAPTSMN1; SMN2TP53

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
US-6022665-A BLEND OF SOLVENT, MODIFIED STYRENE POLYMER AND PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-08 US disclosed
US-5844057-A Polymers and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-01 US disclosed