SCHEMBL7037049

SCHEMBL7037049

COc1ccccc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 0.52
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PTPN5 P54829 1/20 0.50
▸ BACE1 P56817 2/20 0.49
▸ HTR7 P34969 2/20 0.48
▸ PTPRC P08575 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACHE P22303 1/20 0.46

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
SCHEMBL24313994 0.88 HTT (0.56) GAPDHLMNACYP3A4BACE1HTT
SCHEMBL18087565 0.84 LMNA (0.58) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL7031823 0.84 ACHE (0.50) LMNAPTPN5HTR7PTPRCPTPN1
SCHEMBL8584051 0.83 BACE1 (0.57) LMNABACE1PTPRCPTPN1TDP1
SCHEMBL5849737 0.82 CYP1A1 (0.65) LMNACYP3A4PTPN5HTR7PTPRC
SCHEMBL27999721 0.81 CYP3A4 (0.57) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL28418983 0.81 BACE1 (0.46) LMNAPTPN5BACE1PTPRCPTPN1
SCHEMBL16710317 0.81 CTSA (0.49) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL16712928 0.81 HSP90AA1 (0.49) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL20402797 0.81 ALOX5 (0.50) GAPDHLMNACYP3A4BACE1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 — — EP disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 — — EP disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 — — EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 — — WO disclosed
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