SCHEMBL7550872

SCHEMBL7550872

CCC12OC1(c1ccccc1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP2C19 P33261 2/20 0.34
LMNA P02545 4/20 0.33
TP53 P04637 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL19809193 0.70 TSHR (0.37) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL10889346 0.68 TSHR (0.36) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL19809338 0.68 MEN1 (0.36) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL10645705 0.67 ALDH1A1 (0.37) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL19809196 0.67 TSHR (0.35) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL20543240 0.64 LMNA (0.36) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL19809282 0.64 MMP2 (0.37) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL6493726 0.64 MEN1 (0.40) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL6493723 0.64 MEN1 (0.40) TSHRMEN1POLBKMT2ACYP1A2
SCHEMBL28193563 0.64 TSHR (0.39) TSHRMEN1POLBKMT2ACYP1A2

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-20020094945-A1 Reaction products of alkoxylated compounds and polyepoxides COGNIS CORPORATION (COGNIS CORP.) 2002-07-18 US disclosed
WO-2002050222-A1 REACTION PRODUCTS OF ALKOXYLATED COMPOUNDS AND POLYEPOXIDES COGNIS CORPORATION (US) 2002-06-27 WO disclosed