SCHEMBL9170650

SCHEMBL9170650

CCCCCCCCCC(=O)Oc1ccc(N(CC(=O)O)CC(=O)O)cc1OC(=O)CCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.54
▸ PLA2G2A P14555 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TOP2A P11388 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLM Q9NP87 2/20 0.43
▸ POLK Q9UBT6 2/20 0.43
▸ POLL Q9UGP5 2/20 0.43
▸ POLH Q9Y253 2/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.40
▸ CYSLTR2 Q9NS75 3/20 0.40
▸ CYSLTR1 Q9Y271 3/20 0.40
▸ PAM P19021 2/20 0.40
▸ CNR2 P34972 2/20 0.39

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
SCHEMBL9164868 0.84 ALOX15 (0.49) ALOX15TOP2AKDM4EMEN1RECQL
SCHEMBL9173673 0.80 PLA2G2A (0.68) ALOX15PLA2G2ABLMMEN1KMT2A
SCHEMBL9172169 0.80 PLA2G2A (0.68) ALOX15PLA2G2ABLMMEN1KMT2A
SCHEMBL9168583 0.80 PLA2G2A (0.64) PLA2G2ABLMCYSLTR2CYSLTR1
SCHEMBL15558761 0.78 ALOX15 (0.62) ALOX15TOP2AKDM4EMEN1RECQL
SCHEMBL15558002 0.78 ALOX15 (0.62) ALOX15TOP2AKDM4EMEN1RECQL
SCHEMBL15558293 0.77 ALOX15 (0.60) ALOX15TOP2AKMT2ACYSLTR2CYSLTR1
SCHEMBL15558294 0.77 ALOX15 (0.60) ALOX15TOP2AKMT2ACYSLTR2CYSLTR1
SCHEMBL15557956 0.76 ALOX15 (0.63) ALOX15TOP2AKDM4EMEN1RECQL
SCHEMBL15558542 0.76 ALOX15 (0.63) ALOX15TOP2AKDM4EMEN1RECQL

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-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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