SCHEMBL21456800

SCHEMBL21456800

CCCC1CCC(c2ccc(OC)cc2)CC1.CCC[C@H]1CC[C@H](c2ccc(OCC)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
CYP2C9 P11712 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
NQO1 P15559 1/20 0.41
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1894069 0.94 CYP2C9 (0.55) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL4800850 0.94 CYP2C9 (0.55) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL5351735 0.92 DRD2 (0.58) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL5351739 0.92 DRD2 (0.58) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL17616203 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL9346492 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL10761190 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL10761184 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL9260651 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA
SCHEMBL17614872 0.90 CYP2C9 (0.51) DRD2CYP2C9MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3111276-B1 DEVICE AND METHOD FOR EXTRACTING THE LIQUID CRYSTALS CONTAINED IN AN ELEMENT THAT COMPRISES A FIRST AND A SECOND SUPPORT CENTRE NAT RECH SCIENT (FR) 2019-10-16 EP disclosed