SCHEMBL22991509

SCHEMBL22991509

C=Cc1c(OC(C)=O)c(I)cc(I)c1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ TOP1 P11387 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL22991508 0.89 POLB (0.36) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991506 0.88 POLB (0.35) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991504 0.81 POLB (0.38) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991510 0.77 POLB (0.44) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991542 0.77 POLB (0.35) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991507 0.77 POLB (0.35) POLBNLRP3TOP1BACE1HTT
SCHEMBL22991512 0.77 PREP (0.31) HSD17B10KDM4EPREPCELA1MAPK1
SCHEMBL22991502 0.77 PREP (0.31) HSD17B10KDM4EPREPCELA1MAPK1
SCHEMBL4588266 0.77 PREP (0.31) HSD17B10KDM4EPREPCELA1MAPK1
SCHEMBL22991516 0.76 TOP1 (0.40) POLBNLRP3TOP1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029395-A1 COMPOUND, POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, PATTERN FORMING METHOD, METHOD FOR FORMING INSULATING FILM, METHOD FOR PRODUCING COMPOUND, IODINE-CONTAINING VINYL POLYMER AND METHOD FOR PRODUCING ACETYLATED DERIVATIVE OF SAME 三菱瓦斯化学株式会社 2021-02-18 — — WO disclosed
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