SCHEMBL9715111

SCHEMBL9715111

CC(=CCc1ccccc1)C(=O)O.COc1ccc(C=C(C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXAS1 P24557 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GSK3B P49841 1/20 0.43
BACE1 P56817 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL9715106 1.00 AKR1C3 (0.53) AKR1C3MAPTLMNAALDH1A1KDM4E
SCHEMBL11399171 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11399168 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20500020 0.84 AKR1C3 (0.62) AKR1C3MAPTALDH1A1KDM4ETRPM8
SCHEMBL1237224 0.84 AKR1C3 (0.62) AKR1C3MAPTALDH1A1KDM4ETRPM8
SCHEMBL1237225 0.84 AKR1C3 (0.62) AKR1C3MAPTALDH1A1KDM4ETRPM8
Hydrochloric Acid SCHEMBL9445569 0.82 AKR1C3 (0.60) AKR1C3MAPTALDH1A1KDM4ETRPM8
Hydrochloric Acid SCHEMBL9445568 0.82 AKR1C3 (0.60) AKR1C3MAPTALDH1A1KDM4ETRPM8
SCHEMBL9715109 0.82 NPC1 (0.52) AKR1C3MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL30528 0.81 CYP2C9 (0.51) AKR1C3MAPTLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297285-B1 COMPATIBLE BLENDS OF POLYCARBONATE AND POLYMETHACRYLATE RÖHM GMBH (DE) 1992-10-14 EP disclosed
EP-0297285-A2 Compatible blends of polycarbonate and polymethacrylate Röhm GmbH (DE) 1989-01-04 EP disclosed