SCHEMBL11317992

SCHEMBL11317992

COCc1ccc(OP(=O)(Oc2ccc(COC)c(C)c2)Oc2ccc(COC)c(C)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.34
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL7704446 0.80 KMT2A (0.46) ALDH1A1MEN1POLBGAAKMT2A
SCHEMBL28482385 0.79 CYP3A4 (0.46) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL12138180 0.79 MEN1 (0.41) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL13473828 0.77 CYP3A4 (0.39) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL3472021 0.75 CYP3A4 (0.58) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL30233139 0.75 CYP3A4 (0.58) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL29975981 0.75 CYP3A4 (0.58) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL18922735 0.74 ALDH1A1 (0.43) TSHRALDH1A1TDP1POLBGAA
SCHEMBL18361591 0.72 LTA4H (0.47) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL11312969 0.72 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAPK1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248976-A COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND CIBA-GEIGY AG (CH) 1981-02-03 US disclosed
US-4172858-A Flame-resistant polymer compositions CIBA-GEIGY AG (CH) 1979-10-30 US disclosed
US-4163731-A HYDRAULIC FLUIDS CIBA-GEIGY AG (CH) 1979-08-07 US disclosed