SCHEMBL22160318

SCHEMBL22160318

CC1(C)COC(c2ccc(Br)cc2)OC1.[Ar]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.38
KCNA4 P22459 1/20 0.37
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 6/20 0.35
RCOR1 Q9UKL0 3/20 0.35
KCNH2 Q12809 2/20 0.35
MAOB P27338 2/20 0.35
KDM1B Q8NB78 1/20 0.35

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
SCHEMBL1179726 0.98 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL13701304 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL18119744 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL20081570 0.83 MAPK1 (0.41) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL18119746 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL30973232 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL11460056 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL9946118 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL9636744 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL19923127 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPK1MEN1

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
EP-3609976-B1 ORGANIC PHOTOCHROMIC DYE AND USES THEREOF FOR DYE SENSITIZED SOLAR CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2022-08-24 EP disclosed
US-11248123-B2 Organic photochromic dye and uses thereof for dye sensitized solar cells COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-02-15 US disclosed
US-20200207991-A1 ORGANIC PHOTOCHROMIC DYE AND USES THEREOF FOR DYE SENSITIZED SOLAR CELLS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-07-02 US disclosed