SCHEMBL23512545

SCHEMBL23512545

CCc1ccc(-c2ccc(CCC(=O)OCOC(C)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.51
▸ CYP4A11 Q02928 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ APP P05067 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25146694 0.91 CYP4F2 (0.51) CYP4F2CYP4A11TDP1HRH3CYP4Z1
SCHEMBL23512483 0.85 CYP4F2 (0.70) CYP4F2CYP4A11TDP1HRH3CYP4Z1
SCHEMBL25146512 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1HRH3FFAR1
SCHEMBL23512353 0.80 HSD17B10 (0.54) CYP4F2CYP4A11TDP1HRH3FFAR1
SCHEMBL879130 0.80 CYP4F2 (0.77) CYP4F2CYP4A11TDP1HRH3CYP4Z1
SCHEMBL26036263 0.78 KMT2A (0.55) CYP4F2CYP4A11FFAR1HSD17B10LMNA
SCHEMBL26036272 0.78 KMT2A (0.55) CYP4F2CYP4A11FFAR1HSD17B10LMNA
SCHEMBL23512481 0.76 CYP4F2 (0.47) CYP4F2CYP4A11TDP1HRH3FFAR1
SCHEMBL11894639 0.76 CYP4F2 (0.70) CYP4F2CYP4A11TDP1HRH3CYP4Z1
SCHEMBL23512465 0.74 FFAR1 (0.71) HRH3FFAR1LMNAL3MBTL1

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-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 — — WO disclosed
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