SCHEMBL14907470

SCHEMBL14907470

C=C(C)C(=O)Oc1ccc(OC[C@H]2CC[C@H](OC(=O)C(=C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.47
PARP10 Q53GL7 4/20 0.47
PARP2 Q9UGN5 2/20 0.47
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 1/20 0.43
ACACB O00763 6/20 0.40
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19789519 0.85 PARP10 (0.57) PARP15PARP10PARP2KMT2AATM
SCHEMBL14907532 0.80 KMT2A (0.46) KMT2AATMELANEACACBTDP1
SCHEMBL18253252 0.80 KMT2A (0.46) KMT2AATMELANEACACBTDP1
SCHEMBL17433314 0.76 KMT2A (0.43) KMT2AATMELANEACACBFFAR1
SCHEMBL9998736 0.76 KMT2A (0.45) PARP10KMT2AATMELANEACACB
SCHEMBL10890900 0.75 TEAD1 (0.51) ACACBTDP1
SCHEMBL31337644 0.75 ALDH1A1 (0.50)
SCHEMBL31337642 0.75 ALDH1A1 (0.50)
SCHEMBL24709164 0.75 ALDH1A1 (0.55) KMT2AATMELANETDP1
SCHEMBL452749 0.75 ELANE (0.56) PARP10KMT2AATMELANETDP1

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