SCHEMBL21469986

SCHEMBL21469986

C=C(C)COc1ccc(C(c2ccc(OC(=O)C(=C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
PPARD Q03181 2/20 0.38
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLYCD O95822 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34

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
SCHEMBL373661 0.89 ELANE (0.51) ELANEKMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL10395594 0.87 GPR174 (0.44) GPR174KMT2ASMN1; SMN2ALDH1A1CHRNB2
SCHEMBL20312049 0.83 ELANE (0.47) ELANEKMT2AATMALDH1A1MAOB
SCHEMBL6739360 0.83 ESR1 (0.53) ELANEKMT2AATMMAOB
SCHEMBL26342151 0.82 ELANE (0.46) ELANEKMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL19882306 0.82 ELANE (0.50) ELANEGPR174KMT2AATMSMN1; SMN2
SCHEMBL22001782 0.82 ELANE (0.50) ELANEGPR174KMT2AATMSMN1; SMN2
SCHEMBL17546961 0.82 ELANE (0.50) ELANEGPR174KMT2AATMSMN1; SMN2
SCHEMBL21470089 0.81 ELANE (0.44) ELANEKMT2AATMMAOBTDP1
SCHEMBL7213144 0.81 THRB (0.49) ELANEKMT2AATMSMN1; SMN2ALDH1A1

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
EP-3339396-B1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP disclosed