SCHEMBL9328436

SCHEMBL9328436

CC(CC(=O)CC(C)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.48
CYP1A2 P05177 1/20 0.48
TP53 P04637 1/20 0.42
FOLH1 Q04609 2/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
ENPEP Q07075 2/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6905507 0.92 CYP2C19 (0.46) GABRR1CYP1A2FOLH1NAALAD2BLM
SCHEMBL18052197 0.86 GABRR1 (0.54) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL1177351 0.86 GABRR1 (0.54) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL9736766 0.86 TDP1 (0.45) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL27597486 0.85 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL1413247 0.84 CPA1 (0.41) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL6469043 0.84 ENPEP (0.45) GABRR1CYP1A2TP53FOLH1NAALAD2
Hydrochloric Acid SCHEMBL28487836 0.84 GABRR1 (0.52) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4812171 0.84 GABRR1 (0.41) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL10411823 0.83 ESRRB (0.41) GABRR1CYP1A2FOLH1NAALAD2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359340-B1 Spirodilactam polymers SHELL INT RESEARCH (NL) 1994-03-16 EP disclosed
EP-0359341-B1 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives SHELL INT RESEARCH (NL) 1994-02-16 EP disclosed
EP-0336475-B1 1,6-DIAZASPIRO (4,4)NONANE-2,7-DIONE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-12-23 EP disclosed
US-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed
US-5103001-A SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-04-07 US disclosed
US-5093495-A Benzoheterocyclic compounds SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093465-A Polyamide containing spirodilactam moieties SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093500-A Spirodilactam bisimides SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5071996-A Benzheterocyclic compounds SHELL OIL COMPANY (US) 1991-12-10 US disclosed
US-5034504-A Spirodilactam polyamide polymer SHELL OIL COMPANY (US) 1991-07-23 US disclosed
US-4968770-A Polyamide from spirodilactam precursor and primary diamine SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4940801-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1990-07-10 US disclosed
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 US disclosed
US-4939270-A Spirodilactam diamines SHELL OIL COMPANY (US) 1990-07-03 US disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
EP-0359341-A2 1,6-diazaspiro[4,4]nonane-2,7-dione derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed
EP-0359340-A2 Spirodilactam polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed
US-4908458-A 1,5-Di(benzoheterocyclic)-3-oxopentane derivatives SHELL OIL COMPANY (US) 1990-03-13 US disclosed
US-4885351-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1989-12-05 US disclosed
EP-0336475-A1 1,6-diazaspiro (4,4)nonane-2,7-dione derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-11 EP disclosed