SCHEMBL5075005

SCHEMBL5075005

CC(C)CCCCCc1ccc(Oc2cc(Oc3ccc(CCCCCC(C)C)cc3)cc(C(=O)c3ccc(O)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
SRD5A2 P31213 2/20 0.42
FUT7 Q11130 1/20 0.40
CALM1 P0DP23 1/20 0.40
GLI1 P08151 1/20 0.39
GLI2 P10070 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38

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
SCHEMBL5075258 0.84 CNR2 (0.52) SRD5A2CALM1ESR1ADRA2AADORA3
SCHEMBL3476568 0.78 FUT7 (0.46) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
Bicarbonate SCHEMBL2016975 0.77 ACHE (0.55) GRIN2DGRIN2AGRIN2BGRIN2CESR1
SCHEMBL28732505 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL9616667 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL573990 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL237709 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL9616718 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL6257497 0.76 ESR1 (0.62) CALM1ESR1ADRA2AADORA3TACR2
SCHEMBL27814051 0.75 ESR1 (0.60) CALM1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359176-B1 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups BAYER MATERIALSCIENCE AG (DE) 2008-08-27 EP disclosed
US-6825312-B2 POLYCARBONATESTER COPOLYMER MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-20040030090-A1 Polycarbonates, polyester carbonates and polyesters with special branched terminal groups BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1359176-A2 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups Bayer Aktiengesellschaft (DE) 2003-11-05 EP disclosed