SCHEMBL9302751

SCHEMBL9302751

C=CCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MAPT P10636 5/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GPR52 Q9Y2T5 1/20 0.49
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
PKM P14618 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL8913018 1.00 KMT2A (0.56) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL18540053 0.93 THRB (0.49) KMT2AMAPTGFERSMN1; SMN2NPC1
SCHEMBL9303970 0.92 MAPT (0.53) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL18540075 0.91 THRB (0.47) KMT2AMAPTGFERSMN1; SMN2NPC1
SCHEMBL9304788 0.91 MAPT (0.52) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL8913348 0.89 THRB (0.61) KMT2AMAPTGFERSMN1; SMN2NPC1
SCHEMBL18540255 0.88 THRB (0.45) KMT2AMAPTGFERSMN1; SMN2RAB9A
SCHEMBL26079702 0.86 SMN1; SMN2 (0.62) KMT2AMAPTGFERSMN1; SMN2LMNA
SCHEMBL8912760 0.86 THRB (0.58) KMT2AMAPTSMN1; SMN2LMNACYP1A2
SCHEMBL9303442 0.86 KMT2A (0.49) KMT2AMAPTSMN1; SMN2CYP2C9CYP2C19

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-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed