SCHEMBL8472285

SCHEMBL8472285

Cc1ccc(C(c2ccc(C)cc2)c2c(C(=O)NCCCN3CCOCC3)n(CCN3CCOCC3)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
RAD52 P43351 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL8472597 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8899446 0.96 ALDH1A1 (0.49) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8476897 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472229 0.92 KDM4E (0.55) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472213 0.90 KDM4E (0.53) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472527 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8475932 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8472594 0.88 KDM4E (0.44) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8476848 0.88 KDM4E (0.48) ALDH1A1KDM4EMAPK1HPGDALOX15
SCHEMBL8476333 0.86 KDM4E (0.49) ALDH1A1KDM4EMAPK1HPGDALOX15

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
US-5663039-A AT LEAST A PORTION OF THE SURFACE IS COVERED WITH AN ADDITIVE SELECTED FROM THE GROUP CONSISTING OF A SULFITE, A HYDROXYLAMINE OR A BENZOIC OR SULFONIC ACID COMPOUND KONICA CORPORATION (JP) 1997-09-02 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed