SCHEMBL11706183

SCHEMBL11706183

CC(C)(C)c1ccc(OCC(O)Cn2ccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
POLB P06746 2/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 1/20 0.59
KDM4E B2RXH2 2/20 0.55
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NOS1 P29475 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL11715189 0.87 POLB (0.62) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL17934845 0.87 AR (0.60) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL17925473 0.87 AR (0.60) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL17934853 0.87 AR (0.60) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL17934805 0.87 AR (0.60) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL17934808 0.87 AR (0.60) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL10200147 0.85 RAB9A (0.70) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL24083721 0.85 RAB9A (0.57) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL10830342 0.83 POLB (0.67) RAB9APOLBMEN1KMT2ACYP3A4
SCHEMBL13810729 0.83 POLB (0.67) RAB9APOLBMEN1KMT2ACYP3A4

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-4036973-A BACTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1977-07-19 US disclosed
US-4036970-A ANTIPROTOZOA, FUNGISTATS, BACTERISTATS SYNTEX (U.S.A.) INC. (US) 1977-07-19 US disclosed