SCHEMBL9511296

SCHEMBL9511296

C[Si](C)(C)Oc1ccc(C=CCOCC=Cc2ccc(O[Si](C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RELA Q04206 2/20 0.34
MAPT P10636 1/20 0.33
TRPA1 O75762 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL17710969 0.79 KDM4E (0.57) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL17710972 0.79 KDM4E (0.57) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL11498981 0.74 RELA (0.48) IDO1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9266383 0.73 KDM4E (0.41) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL21356554 0.73 CYP1A1 (0.57) KDM4ECYP3A4CYP1A2NPC1RAB9A
SCHEMBL9266380 0.73 KDM4E (0.41) KDM4ECYP3A4CYP1A2NPC1CYP2D6
SCHEMBL4763549 0.72 CA1 (0.39) ALDH1A1
SCHEMBL23728056 0.71 MAPT (0.60) KDM4ECYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL23728057 0.71 MAPT (0.60) KDM4ECYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL8709348 0.71 CYP3A4 (0.37) KDM4ECYP3A4CYP1A2NPC1CYP2D6

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
EP-0391191-B1 (METH)ACRYLIC POLYMERS GRAFTED WITH POLYCARBONATE CHAINS, THEIR MANUFACTURE AND USE BAYER AG (DE) 1993-09-01 EP disclosed
EP-0292785-B1 VINYL COPOLYMERES CONTAINING GRAFTED POLYCARBONATE CHAINS, THEIR MANUFACTURE AND USE BAYER AG (DE) 1991-06-05 EP disclosed