SCHEMBL4148730

SCHEMBL4148730

O=CCCCCCCCCC/C=C/C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
MAPT P10636 1/20 0.47
TBXAS1 P24557 3/20 0.46
PTPN1 P18031 2/20 0.46
TSHR P16473 2/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL16295164 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL4148731 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL646382 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL16293947 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL3768374 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL5403889 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL16295185 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL8158979 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL8158977 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1
SCHEMBL3485654 1.00 FAAH (0.48) FAAHTRPV1MAPTTBXAS1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4290966-A Process for the preparation of traumatin MERCK & CO., INC. (US) 1981-09-22 US claimed
US-20090104705-A1 Ascorbic acid conjugates STATE OR OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2009-04-23 US disclosed
WO-2006127695-A2 ASCORBIC ACID CONJUGATES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2006-11-30 WO disclosed
US-4290966-A Process for the preparation of traumatin MERCK & CO., INC. (US) 1981-09-22 US disclosed
US-4290966-A Process for the preparation of traumatin MERCK & CO., INC. (US) 1981-09-22 US disclosed