SCHEMBL17190577

SCHEMBL17190577

CCCCCCCCOc1cc2c3c(ccc4c5c(C)cc6c7c(ccc(c1c34)c75)C(=O)N(CCCCC)C6=O)C(=O)N(CCCCC)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RGS12 O14924 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TERT O14746 7/20 0.39
▸ APP P05067 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 2/20 0.38

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
SCHEMBL17190544 0.91 STAT3 (0.46) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL17190545 0.90 STAT3 (0.47) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL2607401 0.86 STAT3 (0.50) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL17190564 0.85 STAT3 (0.47) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL13196670 0.81 PIN1 (0.40) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL2607403 0.80 STAT3 (0.45) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL13784297 0.79 STAT3 (0.47) STAT3HIF1ANPC1RAB9AMEN1
SCHEMBL17190546 0.79 PPARG (0.33) HTTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17190552 0.78 PPARG (0.33) HTTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17228818 0.78 PPARG (0.33) HTTKDM4EALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701905-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-11 — — US disclosed
US-20160033807-A1 DEVICE FOR REGULATING THE PASSAGE OF ENERGY MERCK PATENT GMBH (DE) 2016-02-04 — — US disclosed
US-20150315473-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150299577-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-22 — — US disclosed
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