SCHEMBL8623877

SCHEMBL8623877

O=C(OC(=O)C1CCC(C(=O)O)C(C(=O)O)C1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GABRR1 P24046 5/20 0.39
ACE P12821 1/20 0.36
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
GABRR2 P28476 1/20 0.33
PEPD P12955 1/20 0.33

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
SCHEMBL8619554 0.90 GABRR1 (0.42) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL169047 0.86 GABRR1 (0.44) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL21641650 0.86 GABRR1 (0.44) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL2709833 0.85 ACE (0.48) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL17223885 0.85 ACE (0.48) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL9249263 0.85 GABRR1 (0.52) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL28799 0.85 GABRR1 (0.52) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL21664518 0.85 GABRR1 (0.52) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL2019219 0.85 GABRR1 (0.52) AKR1C3AKR1C1GABRR1ACESLC1A2
SCHEMBL9721284 0.85 GABRR1 (0.52) AKR1C3AKR1C1GABRR1ACESLC1A2

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-5840802-A HEAT RESISTANCE AND IMPACT STRENGTH FOR THERMOPLASTIC RESINS GENERAL ELECTRIC COMPANY (US) 1998-11-24 US disclosed
US-5306785-A Molding materials GENERAL ELECTRIC COMPANY (US) 1994-04-26 US disclosed
EP-0586181-A2 Thermoplastic polyester elastomer resin compositions GE PLASTICS JAPAN LIMITED (JP) 1994-03-09 EP disclosed
EP-0322778-B1 BICOMPONENT MOISTURE BARRIER POLY(ETHERIMIDE) ESTER FILMS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 EP disclosed
EP-0554369-A1 POLY(ALKYLENE CYCLOHEXANEDICARBOXYLATE) BINARY BLENDS GENERAL ELECTRIC COMPANY (US) 1993-08-11 EP disclosed
EP-0537014-A2 Dual graft stage and thermally stabilized polyorganisiloxane/polyvinyl-based graft copolymers and thermoplastic compositions containing the same GENERAL ELECTRIC COMPANY (US) 1993-04-14 EP disclosed
WO-1993004124-A1 POLY(ALKYLENE CYCLOHEXANEDICARBOXYLATE) BINARY BLENDS GENERAL ELECTRIC COMPANY (US) 1993-03-04 WO disclosed
US-4769273-A HAVING DIFFERENTIAL TRANSFER OF WATER VAPOR TO PREVENT BUILD-UP; TEXTILE COVERING; SURGICAL DRAPES; WATERPROOFED CLOTHING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-06 US disclosed