SCHEMBL14907439

SCHEMBL14907439

C=C(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(CCC3CCC(CCC)CC3)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FAAH O00519 3/20 0.39
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL19789604 0.95 TDP1 (0.40) TDP1POLBAPEX1HTTFAAH
SCHEMBL14907444 0.84 FAAH (0.39) HTTFAAHMAPTSMN1; SMN2NPC1
SCHEMBL14907498 0.84 FAAH (0.39) HTTFAAHMAPTSMN1; SMN2NPC1
SCHEMBL13837995 0.82 TDP1 (0.50) TDP1POLBAPEX1HTTFAAH
SCHEMBL15293232 0.81 TDP1 (0.53) TDP1POLBAPEX1HTTFAAH
SCHEMBL9590729 0.80 FAAH (0.47) FAAHMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9590718 0.80 FAAH (0.47) FAAHMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9591165 0.80 FAAH (0.47) FAAHMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9591171 0.80 FAAH (0.47) FAAHMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9589416 0.80 FAAH (0.47) FAAHMAPTSMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
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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