SCHEMBL103549

SCHEMBL103549

C=Cc1ccc(C(=O)Oc2ccc(CCC(=O)Oc3ccc(OCOCC)c(C)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.38
AKR1C3 P42330 5/20 0.38
THRB P10828 1/20 0.37
F2 P00734 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL103708 0.91 AKR1C3 (0.41) MAPTKMT2AAKR1C3SMN1; SMN2
SCHEMBL102853 0.82 TDP1 (0.39) MAPTKMT2ASMN1; SMN2
SCHEMBL104025 0.82 MAPT (0.36) MAPTKMT2ATHRBF2KLK1
SCHEMBL20251166 0.79 MAPT (0.50) MAPTKMT2ATHRBPRSS1SMN1; SMN2
SCHEMBL14192464 0.79 ALDH1A1 (0.38) MAPTKMT2ATHRB
SCHEMBL20251184 0.78 MAPT (0.49) MAPTKMT2ATHRBPRSS1SMN1; SMN2
SCHEMBL13774490 0.78 KMT2A (0.42) MAPTKMT2AF2KLK1PRSS1
SCHEMBL12723880 0.78 THRB (0.42) MAPTKMT2AAKR1C3THRBSMN1; SMN2
SCHEMBL16812834 0.78 KDM4E (0.44) MAPTKMT2ASMN1; SMN2
SCHEMBL20110406 0.76 MAPT (0.40) MAPTKMT2ATHRBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed