SCHEMBL22991494

SCHEMBL22991494

OCCc1cc(I)c(O)c(I)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ TTR P02766 2/20 0.37
▸ ALB P02768 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL22991495 0.78 MEN1 (0.35) TP53TDP1HSD17B10HTR2CKDM4E
SCHEMBL22991625 0.76 TTR (0.37) TP53TTRALBTDP1ALDH1A1
SCHEMBL12070972 0.76 HTR2C (0.36) TP53TDP1HTR2CKDM4EALDH1A1
SCHEMBL22991490 0.74 TDP1 (0.45) TP53TTRALBTDP1KDM4E
SCHEMBL22991491 0.74 CA2 (0.33) TP53TDP1HTR2CKDM4EALDH1A1
SCHEMBL69776 0.72 TTR (0.56) TP53TTRALBTDP1CYP1A2
SCHEMBL22991488 0.70 TTR (0.42) TP53TTRALBTDP1CYP1A2
SCHEMBL8773681 0.70 TTR (0.48) TTRALBTDP1CYP1A2CYP2C9
SCHEMBL22897422 0.68 TP53 (0.56) TP53TTRKDM4E
SCHEMBL31618879 0.68 TP53 (0.47) TP53TTRALBTDP1HIF1A

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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