SCHEMBL8472597

SCHEMBL8472597

Cc1ccc(C(c2ccc(C)cc2)c2c(C(=O)NCCCN3CCOCC3)n(CCN3CCCC3)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
RAD52 P43351 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 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
SCHEMBL8899446 0.99 ALDH1A1 (0.49) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8472285 0.97 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8472213 0.93 KDM4E (0.53) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8475932 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8476897 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8476848 0.90 KDM4E (0.48) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8472229 0.90 KDM4E (0.55) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8472594 0.87 KDM4E (0.44) ALDH1A1KDM4EMAPK1HSD17B10HPGD
SCHEMBL8472527 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1HSD17B10HPGD
Hydrochloric Acid SCHEMBL8472504 0.85 CNR2 (0.48) MAPK1KMT2ALMNAMEN1TSHR

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-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed