SCHEMBL9683763

SCHEMBL9683763

CC(=O)CC1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
XBP1 P17861 1/20 0.49
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 2/20 0.46
KDM5B Q9UGL1 2/20 0.46

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
SCHEMBL6272803 0.90 MTNR1B (0.50) BLMTSHR
SCHEMBL14356155 0.90 MTNR1B (0.50) BLMTSHR
SCHEMBL30301824 0.85 FFAR1 (0.52) BLMTSHRHTTALDH1A1XBP1
SCHEMBL3590904 0.85 FFAR1 (0.52) BLMTSHRHTTALDH1A1XBP1
SCHEMBL1568052 0.85 BLM (0.51) BLMTSHRHTTALDH1A1XBP1
SCHEMBL30572310 0.84 BLM (0.50) BLMTSHRHTTALDH1A1XBP1
SCHEMBL10584761 0.84 TSHR (0.50) BLMTSHRHTTALDH1A1XBP1
SCHEMBL1725811 0.84 BLM (0.50) BLMTSHRHTTALDH1A1XBP1
SCHEMBL5951346 0.83 TSHR (0.47) BLMTSHRHTTALDH1A1XBP1
SCHEMBL7038866 0.83 HAO1 (0.53) BLMTSHRHTTALDH1A1XBP1

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed