SCHEMBL6537068

SCHEMBL6537068

O=C(O)c1cccc(OC2(Oc3cccc(C(=O)O)c3C(=O)O)C=CC(C(=O)c3ccccc3)C=C2)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 6/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 5/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
TSHR P16473 1/20 0.34
GGT1 P19440 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BLM P54132 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL4649899 0.90 POLB (0.39) AKR1C3ALDH1A1HSD17B10TDP1POLB
SCHEMBL8911079 0.76 HTT (0.36) AKR1C3ALDH1A1HSD17B10TSHRNAPRT
SCHEMBL5267430 0.75 POLB (0.48) AKR1C3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20135773 0.74 NPC1 (0.41) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL4675279 0.73 PYGL (0.36) AKR1C3ALDH1A1HSD17B10TDP1POLB
SCHEMBL210844 0.71 TSHR (0.41) ALDH1A1HPGDHSD17B10TSHRNAPRT
SCHEMBL1627984 0.70 MAOA (0.36) MAPTHTTELANEKMT2AALOX15
SCHEMBL9750703 0.70 PBRM1 (0.42) AKR1C3ALDH1A1POLBMAPTKMT2A
Ammonia Solution, Strong SCHEMBL10582921 0.69 MAOA (0.35) MAPTHTTELANEKMT2AALOX15
SCHEMBL156512 0.69 MAPT (0.40) AKR1C3ALDH1A1HSD17B10TSHRBLM

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
US-6673872-B2 BLEND OF POLYIMIDE THERMOPLASTIC AND LOW VISCOSITY POLY(ARYLENE) ETHER GENERAL ELECTRIC COMPANY 2004-01-06 US claimed
US-20030125478-A1 HIGH PERFORMANCE THERMOPLASTIC COMPOSITIONS WITH IMPROVED MELT FLOW PROPERTIES SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2003-07-03 US claimed
EP-0900828-A1 Polyetherimide resin/polyester resin blends GENERAL ELECTRIC COMPANY (US) 1999-03-10 EP disclosed
EP-0315025-A1 Amide-imide copolymers and process for the preparation thereof GENERAL ELECTRIC COMPANY (US) 1989-05-10 EP disclosed