SCHEMBL28064583

SCHEMBL28064583

O=C(CCC1CCC(O)CC1)CCC1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
MAPT P10636 2/20 0.31
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 2/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SHBG P04278 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
SCHEMBL7401679 0.89 HPGD (0.41) HPGDTP53KDM5AKDM7AKDM4C
SCHEMBL5083120 0.83 KDM5A (0.42) HPGDEPHX2KDM5AKDM7AKDM4C
SCHEMBL17335681 0.81 HSD11B1 (0.38) HPGDEPHX2TP53KDM5AKDM7A
SCHEMBL15881507 0.81 HSD11B1 (0.38) HPGDEPHX2TP53KDM5AKDM7A
SCHEMBL24722823 0.81 ALDH1A1 (0.39) HPGDEPHX2TP53MAPTHSD11B1
SCHEMBL27940250 0.79 HPGD (0.54) HPGDTP53MAPTHSD11B1ALDH1A1
SCHEMBL149054 0.78 TSHR (0.41) EPHX2TSHRSHBG
SCHEMBL10576267 0.78 TSHR (0.41) EPHX2TSHRSHBG
SCHEMBL11670009 0.77 HPGD (0.57) HPGDTP53MAPTHSD11B1ALDH1A1
SCHEMBL1188266 0.76 TSHR (0.46) HPGDEPHX2MAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658628-A Novel arylalkene derivatives and use thereof as selective estrogen receptor modulators 北京赛林泰医药技术有限公司 2016-06-08 CN disclosed