SCHEMBL14907487

SCHEMBL14907487

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(CCC3CCC(CCC)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL13253164 0.94 THRB (0.43) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14907552 0.91 THRB (0.47) THRBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6720160 0.90 CYP2C9 (0.47) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL16746205 0.90 CYP2C9 (0.47) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9999859 0.90 CYP2C9 (0.47) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL2641379 0.90 CYP2C9 (0.47) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL20917581 0.90 CYP2C9 (0.47) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL14907444 0.89 FAAH (0.39) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14907498 0.89 FAAH (0.39) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL16746203 0.89 CYP2C9 (0.48) THRBNPC1LMNASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 — — US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 — — US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 — — WO disclosed
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