SCHEMBL20152491

SCHEMBL20152491

CC1CCC(C(=O)OC2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.30
HCRTR2 O43614 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20152488 1.00 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL13074339 1.00 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20152489 1.00 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL14274401 1.00 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL170528 1.00 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20152479 0.94 CYP19A1 (0.41) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20152474 0.94 CYP19A1 (0.41) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20152476 0.94 CYP19A1 (0.41) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20275995 0.94 CYP19A1 (0.41) CYP19A1ALDH1A1NPC1LMNAMAPT
SCHEMBL20276012 0.94 CYP19A1 (0.41) CYP19A1ALDH1A1NPC1LMNAMAPT

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
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed