SCHEMBL8416334

SCHEMBL8416334

CCCCn1cc(CC(=O)OCC)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.65
ICMT O60725 2/20 0.64
CREBBP Q92793 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CNR1 P21554 5/20 0.54
CNR2 P34972 7/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.51
MCL1 Q07820 2/20 0.51

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
SCHEMBL28840780 0.91 CREBBP (0.62) CDC25AICMTCREBBPL3MBTL1CNR1
SCHEMBL9038902 0.90 CDC25A (0.56) CDC25AICMTCREBBPL3MBTL1CNR1
SCHEMBL15747750 0.88 CDC25A (0.67) CDC25AICMTCNR1CNR2KDM4E
SCHEMBL21245271 0.88 ICMT (0.62) CDC25AICMTCREBBPL3MBTL1CNR1
SCHEMBL18171795 0.85 ALDH1A1 (0.66) CREBBPL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL21535335 0.85 CDC25A (0.73) CDC25AICMTCNR1CNR2
SCHEMBL21245248 0.84 CDC25A (0.56) CDC25AICMTCREBBPL3MBTL1CNR1
SCHEMBL15747729 0.84 CDC25A (0.90) CDC25AICMTCNR1CNR2KDM4E
SCHEMBL17102877 0.84 CDC25A (0.75) CDC25AICMTCNR1CNR2
SCHEMBL15747719 0.84 CDC25A (0.75) CDC25AICMTCNR1CNR2

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
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed