SCHEMBL22277282

SCHEMBL22277282

CCOc1ccc(OC(=O)C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 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
SCHEMBL18012158 1.00 HPGD (0.44) HPGDSMN1; SMN2GAAPKMGLA
SCHEMBL16769030 0.91 HPGD (0.46) HPGDSMN1; SMN2GAAGLAPOLB
SCHEMBL16769029 0.91 HPGD (0.46) HPGDSMN1; SMN2GAAGLAPOLB
SCHEMBL21609892 0.90 HPGD (0.47) HPGDSMN1; SMN2GAAGLAPOLB
SCHEMBL20017218 0.89 SCN9A (0.39) HPGDPOLBMEN1RAB9AKMT2A
SCHEMBL9562690 0.88 HPGD (0.43) HPGDSMN1; SMN2GAAGLAPOLB
SCHEMBL9562686 0.88 HPGD (0.43) HPGDSMN1; SMN2GAAGLAPOLB
SCHEMBL12742052 0.88 HPGD (0.43) HPGDSMN1; SMN2GAAPKMGLA
SCHEMBL12737163 0.88 HPGD (0.43) HPGDSMN1; SMN2GAAPKMGLA
SCHEMBL172319 0.86 POLB (0.42) HPGDSMN1; SMN2GAAPKMPOLB

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