SCHEMBL8640547

SCHEMBL8640547

CCOC(=O)c1c(C(=O)c2ccccc2)cc(C(=O)O)c(C(=O)O)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL10395038 0.97 AKR1C3 (0.47) AKR1C3TSHRLMNAPOLBSMN1; SMN2
SCHEMBL8341721 0.90 SMN1; SMN2 (0.44) AKR1C3LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL10385659 0.89 TSHR (0.53) AKR1C3TSHRLMNAPOLBSMN1; SMN2
SCHEMBL6860393 0.87 TSHR (0.51) AKR1C3TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL5965482 0.84 AKR1C3 (0.51) AKR1C3TSHRLMNAPOLBSMN1; SMN2
SCHEMBL76089 0.80 AKR1C3 (0.67) AKR1C3POLBALDH1A1CYP2C9KDM4E
SCHEMBL5692585 0.80 CYP3A4 (0.53) AKR1C3TSHRLMNAPOLBSMN1; SMN2
SCHEMBL195278 0.79 TSHR (0.75) AKR1C3TSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL29619268 0.79 TSHR (0.75) AKR1C3TSHRLMNASMN1; SMN2ALDH1A1
Pyromellitic Acid SCHEMBL1639949 0.78 AKR1C3 (0.64) AKR1C3POLBALDH1A1CYP2C9KDM4E

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-0552984-B1 Methods of making thin-film wiring boards HITACHI LTD (JP) 1998-08-26 EP disclosed
US-5478917-A Aromatic polyamines, tetracarboxylic acid amides and esters; smoothness, flexibility BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
CN-1106843-A Solutions of polyimide-forming substances and their use as coating compositions BASF LACKE & FARBEN (DE) 1995-08-16 CN disclosed
EP-0552984-A2 Methods of making thin-film wiring boards, thin-film wiring boards made thereby, and adhesive materials HITACHI, LTD. (JP) 1993-07-28 EP disclosed