SCHEMBL11078052

SCHEMBL11078052

CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)CC(=O)Nc2cc(C(=O)OCCCCCCCCCCCC)ccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.50
ESR1 P03372 4/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL11528622 0.93 MAPT (0.54) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL9299342 0.91 NPC1 (0.51) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL11636039 0.91 NPC1 (0.51) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL8054346 0.91 NPC1 (0.51) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL11465492 0.90 ALDH1A1 (0.63) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL8371185 0.90 NPC1 (0.50) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL6160733 0.88 KMT2A (0.54) NPC1MAPTALDH1A1LMNAHTT
SCHEMBL11315193 0.88 ALDH1A1 (0.56) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL6165918 0.88 NPC1 (0.55) NPC1MAPTALDH1A1LMNARAB9A
SCHEMBL11310274 0.86 ALDH1A1 (0.52) NPC1MAPTALDH1A1LMNARAB9A

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-0114675-A2 Color photographic silver halide light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-08-01 EP disclosed
US-4095984-A BENZOTHIAZOLINYLIDENE(AMINO) BENZOTRIAZOLES FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US disclosed