SCHEMBL22277291

SCHEMBL22277291

CCCCC1CCC(C2CCC(C3CCC(C(=O)Oc4ccc(OCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 3/20 0.36
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL7908240 1.00 HPGD (0.41) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL7908243 1.00 HPGD (0.41) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL7908244 1.00 HPGD (0.41) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL9405908 0.97 HPGD (0.40) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL9405910 0.97 HPGD (0.40) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL7908250 0.96 HPGD (0.43) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL7908246 0.96 HPGD (0.43) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL9405977 0.95 HPGD (0.39) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL9405978 0.95 HPGD (0.39) HPGDGAAMAPTSMN1; SMN2NPC1
SCHEMBL9405887 0.95 HPGD (0.39) HPGDGAAMAPTSMN1; SMN2NPC1

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed