SCHEMBL20152485

SCHEMBL20152485

CC1CCC(OC(=O)C2CCC(CC[C@H]3CC[C@@H](C)CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.39
▸ NAAA Q02083 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LNPEP Q9UIQ6 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20276076 1.00 CYP19A1 (0.39) CYP19A1NAAAALDH1A1THRATHRB
SCHEMBL20152490 0.95 CYP19A1 (0.36) CYP19A1NAAAALDH1A1
SCHEMBL4400225 0.92 NAAA (0.36) CYP19A1NAAAALDH1A1MEN1KMT2A
SCHEMBL17059021 0.89 HTT (0.46) CYP19A1NAAAMEN1KMT2ALMNA
SCHEMBL20152479 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20152476 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20152474 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL12377040 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20276012 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20275995 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MEN1KMT2ALMNA

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-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 — — US disclosed
Send feedback