SCHEMBL4430781

SCHEMBL4430781

Nc1cc(N)cc(C(=O)OCCCCCCCCOC(=O)c2cc(N)cc(N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SERPINE1 P05121 2/20 0.53
ESR1 P03372 6/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4D Q08499 1/20 0.51
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL7650928 0.98 SERPINE1 (0.55) NPC1MAPTRAB9AALDH1A1SERPINE1
SCHEMBL31634606 0.93 NPC1 (0.51) NPC1MAPTRAB9AALDH1A1SERPINE1
SCHEMBL1553600 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL866307 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL29023764 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL1554567 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL1553249 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL3628916 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL9635703 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1
SCHEMBL1553721 0.91 ALDH1A1 (0.71) NPC1MAPTRAB9AALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US disclosed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US disclosed
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP disclosed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO disclosed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP disclosed