SCHEMBL8517612

SCHEMBL8517612

CC(=O)OC(=O)C(N)CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ SLC1A3 P43003 2/20 0.32
▸ SLC1A2 P43004 2/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ TBXA2R P21731 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL541251 0.85 SLC7A5 (0.52) ALDH1A1TSHRSLC7A5SLC1A3SLC1A2
SCHEMBL1824383 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1985156 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1824385 0.77 ALOX15 (0.38) ALDH1A1TSHRLMNAPGRSMN1; SMN2
SCHEMBL8894542 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL8998345 0.77 MAPT (0.40) TSHRSLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL13087404 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSLC7A5SLC1A3SLC1A2
SCHEMBL678279 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSLC7A5SLC1A1HSD17B10
SCHEMBL432874 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSLC7A5SLC1A3SLC1A2
SCHEMBL28788298 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSLC7A5SLC1A3SLC1A2

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-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 — — EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 — — EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 — — WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 — — WO disclosed
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