SCHEMBL14930523

SCHEMBL14930523

CCOc1ccc2cc(OCCCCOC(C)=O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.54
▸ PDE3A Q14432 3/20 0.54
▸ P2RY12 Q9H244 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL14930466 0.92 ALDH1A1 (0.60) PDE3BPDE3AP2RY12ALDH1A1L3MBTL1
SCHEMBL14926506 0.90 PDE3B (0.54) PDE3BPDE3AP2RY12ALDH1A1L3MBTL1
SCHEMBL14926509 0.90 ALDH1A1 (0.58) PDE3BPDE3AP2RY12ALDH1A1THRA
SCHEMBL14926513 0.89 THRA (0.56) PDE3BPDE3AP2RY12ALDH1A1THRA
SCHEMBL14926512 0.89 THRA (0.56) PDE3BPDE3AP2RY12ALDH1A1THRA
SCHEMBL14926510 0.89 THRA (0.56) PDE3BPDE3AP2RY12ALDH1A1THRA
SCHEMBL14930467 0.89 THRA (0.56) PDE3BPDE3AP2RY12ALDH1A1THRA
SCHEMBL14926511 0.89 PDE3B (0.53) PDE3BPDE3AP2RY12ALDH1A1L3MBTL1
SCHEMBL18643843 0.89 KDM4E (0.46) PDE3BPDE3AP2RY12ALDH1A1AKR1C3
SCHEMBL14926504 0.86 THRA (0.53) PDE3BPDE3AP2RY12ALDH1A1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 — — US disclosed
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