SCHEMBL9502525

SCHEMBL9502525

CC(C)(c1ccccc1)c1ccc(OCC(=O)O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL9502507 0.80 KDM4E (0.39) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL30619650 0.79 KDM4E (0.41) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL22320323 0.79 KDM4E (0.41) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL10587501 0.79 BACE1 (0.46) CYP2C19SMN1; SMN2POLBMEN1ALDH1A1
SCHEMBL5284414 0.79 PTGDR2 (0.70) PTGDR2CYP2C19SMN1; SMN2L3MBTL1MEN1
SCHEMBL2240319 0.79 ALDH1A1 (0.40) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL28611764 0.78 ALDH1A1 (0.47) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL30545318 0.78 ESR1 (0.47) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL9191033 0.77 L3MBTL1 (0.50) PTGDR2CYP2C19SMN1; SMN2POLBL3MBTL1
SCHEMBL15423891 0.77 ALDH1A1 (0.46) SMN1; SMN2POLBMEN1ALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950782-A Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-21 US claimed
EP-0324917-A1 Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-07-26 EP claimed
EP-0324917-B1 LOW PLATE-OUT POLYCARBONATES GENERAL ELECTRIC COMPANY (US) 1993-06-30 EP disclosed
US-4950782-A Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-21 US disclosed
EP-0324917-A1 Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-07-26 EP disclosed
US-4841015-A Low plate-out polycarbonate end capped with phenoxy acetic acid GENERAL ELECTRIC COMPANY (US) 1989-06-20 US disclosed