SCHEMBL9038902

SCHEMBL9038902

CCOC(=O)Cc1cn(CCCCl)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.56
CREBBP Q92793 1/20 0.55
ICMT O60725 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MCL1 Q07820 6/20 0.54
CNR1 P21554 3/20 0.50
LMNA P02545 1/20 0.49
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 1/20 0.46
TERT O14746 1/20 0.45

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
SCHEMBL8416334 0.90 CDC25A (0.65) CDC25ACREBBPICMTL3MBTL1MCL1
SCHEMBL28840780 0.89 CREBBP (0.62) CDC25ACREBBPICMTL3MBTL1MCL1
SCHEMBL21245271 0.86 ICMT (0.62) CDC25ACREBBPICMTL3MBTL1MCL1
SCHEMBL18171795 0.83 ALDH1A1 (0.66) CREBBPL3MBTL1LMNAALOX5ALDH1A1
SCHEMBL21245248 0.82 CDC25A (0.56) CDC25ACREBBPICMTL3MBTL1MCL1
SCHEMBL4208833 0.80 L3MBTL1 (0.63) CREBBPL3MBTL1LMNAALDH1A1MAPT
SCHEMBL8172186 0.80 POLB (0.53) CDC25AICMTL3MBTL1MCL1LMNA
SCHEMBL28836439 0.80 CDC25A (0.51) CDC25ACREBBPICMTMCL1CNR1
SCHEMBL8181059 0.80 CHRNB2 (0.58) CREBBPL3MBTL1LMNAALOX5ALDH1A1
SCHEMBL8175090 0.79 FNTA (0.57) CREBBPL3MBTL1LMNAALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed