SCHEMBL10458115

SCHEMBL10458115

CC(C)(C(=O)c1ccc(OC(=O)C(=O)Oc2ccc(C(=O)C(C)(C)N3CCOCC3)cc2)cc1)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
HRH3 Q9Y5N1 1/20 0.54
RAB9A P51151 1/20 0.49
KMT2A Q03164 8/20 0.48
MEN1 O00255 5/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL20869327 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458524 0.90 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458541 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458813 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL20869276 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL20869354 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL275396 0.87 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458532 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL18883204 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458536 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed