SCHEMBL3452240

SCHEMBL3452240

COc1cccc(C=CC=CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOS P01100 1/20 0.62
▸ JUN P05412 1/20 0.62
▸ BCHE P06276 1/20 0.62
▸ MAOB P27338 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ ABCG2 Q9UNQ0 2/20 0.55
▸ MAOA P21397 2/20 0.55
▸ CYP1A1 P04798 2/20 0.55
▸ CYP1B1 Q16678 2/20 0.55
▸ RELA Q04206 2/20 0.54
▸ NR1H4 Q96RI1 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NFKB1 P19838 1/20 0.53

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
SCHEMBL29975428 1.00 FOS (0.62) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL3452239 1.00 FOS (0.62) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL80786 0.89 FOS (0.72) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL30584119 0.89 FOS (0.72) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL80787 0.89 FOS (0.72) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL15932965 0.88 MAOB (0.58) FOSJUNBCHEMAOBSMN1; SMN2
Hydrochloric Acid SCHEMBL8098406 0.87 FOS (0.70) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL16410054 0.86 MAOB (0.57) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL12698272 0.86 MAOB (0.57) FOSJUNBCHEMAOBSMN1; SMN2
SCHEMBL15929625 0.84 MAOB (0.55) FOSJUNBCHEMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108142419-A A kind of preparation method of leather antibacterial material 孝感市锐思新材科技有限公司 2018-06-12 — — CN claimed
CN-108142419-A A kind of preparation method of leather antibacterial material 孝感市锐思新材科技有限公司 2018-06-12 — — CN disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 — — US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 — — EP disclosed
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 — — EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 — — US disclosed
EP-1042320-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS AstraZeneca UK Limited (GB) 2000-10-11 — — EP disclosed
WO-1999026944-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENEKA UK LIMITED (GB) 1999-06-03 — — WO disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 — — US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 — — US disclosed
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