SCHEMBL11528277

SCHEMBL11528277

O=CC(=O)c1c(-c2cccc(-c3ccccc3)c2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ KMO O15229 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ RORB Q92753 1/20 0.35
▸ MAP3K8 P41279 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL11329126 0.82 MEN1 (0.44) PTGER1PTGER4PTGER3PTGER2KMO
SCHEMBL11318153 0.82 MEN1 (0.44) PTGER1PTGER4PTGER3PTGER2KMO
SCHEMBL11529950 0.80 PTGER4 (0.48) PTGER1PTGER4PTGER3PTGER2KMO
Water SCHEMBL11531305 0.79 PTGER4 (0.47) PTGER1PTGER4PTGER3PTGER2KMO
SCHEMBL11700214 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1HNF4AHDAC8
SCHEMBL11530624 0.76 ACMSD (0.51) PTGER1PTGER4PTGER3PTGER2KMO
SCHEMBL11533440 0.75 KMO (0.38) PTGER1PTGER4PTGER3PTGER2KMO
SCHEMBL11568765 0.72 ACMSD (0.49) ALDH1A1MAPK1TDP1ACMSDHNF4A
SCHEMBL11530588 0.72 ACMSD (0.49) ALDH1A1MAPK1TDP1ACMSDHNF4A
Water SCHEMBL11409301 0.71 HNF4A (0.47) ALDH1A1MAPK1TDP1HNF4AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147728-A Disubstituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1979-04-03 — — US disclosed
US-4064176-A Di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-12-20 — — US disclosed
US-4045414-A New di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-08-30 — — US disclosed
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