SCHEMBL22160331

SCHEMBL22160331

CC1(C)COC(c2ccc(C(=O)c3ccccc3)cc2)OC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.44
SRD5A2 P31213 1/20 0.43
EZH2 Q15910 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
STAT1 P42224 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNA4 P22459 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
SCHEMBL14930911 0.85 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL1180403 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL15392717 0.82 MEN1 (0.45) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL8608558 0.81 MEN1 (0.69) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL18119744 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL15890432 0.78 MEN1 (0.55) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL23785509 0.76 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AMEN1CYP2C19
SCHEMBL12883812 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL18124435 0.76 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AMAPK1MEN1
SCHEMBL19923127 0.74 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678532-B Organic photochromic dye and use thereof for dye sensitized solar cells 法国原子能源和替代能源委员会 2023-11-03 CN disclosed
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-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
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