SCHEMBL8894483

SCHEMBL8894483

O=[C]CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
CTSS P25774 7/20 0.53
CTSL P07711 7/20 0.53
CTSK P43235 5/20 0.53
CTSB P07858 4/20 0.53
CTRB1 P17538 2/20 0.50
IDO1 P14902 1/20 0.50
CASP1 P29466 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TYR P14679 1/20 0.48

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
SCHEMBL4280404 0.92 TACR1 (0.54) TACR1CTSSCTSLCTSKCTSB
SCHEMBL10523880 0.86 TACR1 (0.56) TACR1CTSSCTSLCTSKCTSB
SCHEMBL6059278 0.84 CTSK (0.54) TACR1CTSSCTSLCTSKCTSB
SCHEMBL7215503 0.84 CTSK (0.54) TACR1CTSSCTSLCTSKCTSB
SCHEMBL11685409 0.84 CTSL (0.56) TACR1CTSSCTSLCTSKCTSB
SCHEMBL7363415 0.83 SIRT2 (0.59) TACR1CTSSCTSLCTSKCTSB
SCHEMBL2921260 0.83 FOLH1 (0.59) TACR1CTSSCTSLCTSKCTSB
SCHEMBL22144256 0.83 CTSK (0.53) TACR1CTSSCTSLCTSKCTSB
SCHEMBL22144261 0.83 CTSK (0.66) TACR1CTSSCTSLCTSKCTSB
SCHEMBL17860731 0.83 CTSK (0.53) TACR1CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633232-A ANALGESIC, ANTIHISTAMINE, SKIN DISORDERS, VISION DEFECTS,ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-27 US disclosed
US-5420297-A Antiinflammatory agents, ophthalmic and antiarthritic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0394989-B1 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-21 EP disclosed
WO-1994020126-A1 USE OF PEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-15 WO disclosed
EP-0590152-A1 PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-06 EP disclosed
WO-1992022569-A1 PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 WO disclosed
US-5164372-A Treatment of respiratory disorders, inflammation, dermatitis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-11-17 US disclosed
EP-0394989-A2 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed