SCHEMBL2836200

SCHEMBL2836200

CC1(COc2ccc(-c3ccc(OCC4(C)CO4)cc3)cc2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
USP2 O75604 1/20 0.36
FKBP1A P62942 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
NQO1 P15559 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ACACB O00763 1/20 0.34
LSS P48449 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 3/20 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
SCHEMBL11743163 0.91 PLA2G7 (0.38) ALDH1A1HPGDUSP2CYP2D6HRH3
SCHEMBL11738646 0.91 NPSR1 (0.40) MAPTCYP2C9CYP2C19LMNACYP1A2
SCHEMBL11742398 0.91 HRH2 (0.39) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL11744392 0.91 APP (0.39) ALDH1A1HPGDUSP2FKBP1A
SCHEMBL12769805 0.88 MMP2 (0.46) ALDH1A1HPGDHRH3MAPTKDM4E
SCHEMBL4461068 0.88 DRD2 (0.40) ALDH1A1HPGDUSP2CYP3A4MAPT
SCHEMBL11742464 0.87 MAOB (0.40)
SCHEMBL11742757 0.86 PTGS2 (0.46) ALDH1A1MAPTLMNAPOLBNPC1
SCHEMBL9774630 0.85 PLA2G7 (0.40) ALDH1A1HPGDUSP2FKBP1ACYP2D6
SCHEMBL2312518 0.85 DRD2 (0.40) ALDH1A1KDM4ELMNATSHR

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed