SCHEMBL4948285

SCHEMBL4948285

CC(C)C1CCC(C)(c2ccccc2O)CC1c1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL9006072 0.84 ESR2 (0.36) MAPT
SCHEMBL5244034 0.73 HSD11B1 (0.41) ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5824341 0.70 OPRM1 (0.47) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL1005980 0.67 ESR2 (0.40)
SCHEMBL21724095 0.67 SLC6A3 (0.41) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7113263 0.67 SLC6A3 (0.41) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL725435 0.66 ALDH1A1 (0.43) MEN1KMT2ATSHRHTR2AMAPT
SCHEMBL1823422 0.66 HSD11B1 (0.36) MEN1KMT2ATSHRHTR2AHTR2C
SCHEMBL10779647 0.65 MEN1 (0.42) MEN1KMT2ATSHRHTR2AHTR2C
SCHEMBL4639315 0.64 HSD11B1 (0.44) ALDH1A1OPRM1OPRD1OPRK1

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
WO-2008021135-A2 SYNERETIC COMPOSITION, ASSOCIATED METHOD AND ARTICLE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-02-21 WO disclosed
WO-2008019149-A1 COMPOSITION AND ASSOCIATED METHOD MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-02-14 WO disclosed