SCHEMBL7867709

SCHEMBL7867709

COCCOCOc1c(C)ccc(C(=O)OOCCOC)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.37
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CTNNB1 P35222 1/20 0.32
IKBKB O14920 4/20 0.32
RARA P10276 2/20 0.30
MAPK14 Q16539 1/20 0.30
RARB P10826 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
SCHEMBL7867705 0.76 MAPT (0.39) RARGTSHRPTPN1KDM4EALDH1A1
SCHEMBL28476894 0.72 TSHR (0.50) TSHRKDM4EALDH1A1TDP1
SCHEMBL28519625 0.70 TSHR (0.54) TSHRKDM4EALDH1A1TDP1
SCHEMBL6479592 0.66 KDM4E (0.39) RARGKDM4EALDH1A1F2ELANE
SCHEMBL17719425 0.66 EGFR (0.37) TSHRKDM4EALDH1A1TDP1F2
SCHEMBL28384052 0.66 TSHR (0.42) TSHRPTPN1KDM4EALDH1A1TDP1
SCHEMBL28102658 0.65 TSHR (0.51) TSHRKDM4EALDH1A1
SCHEMBL28378193 0.64 LMNA (0.52) TSHRKDM4EALDH1A1TDP1F2
SCHEMBL6043188 0.64 HDAC3 (0.59) TSHRKDM4EALDH1A1
SCHEMBL27748326 0.64 TSHR (0.36) TSHRKDM4EALDH1A1TDP1IKBKB

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
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed