SCHEMBL7609587

SCHEMBL7609587

CCOC(=O)c1c(C(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
PTGER4 P35408 5/20 0.44
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ELANE P08246 2/20 0.35
LMNA P02545 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL8476671 0.89 KMT2A (0.47) KMT2APTGER4HPGDPPARGPPARD
SCHEMBL7612724 0.89 ALDH1A1 (0.39) KMT2APTGER4HPGDPPARGPPARD
SCHEMBL8472402 0.88 PTGER4 (0.49) KMT2APTGER4MEN1POLBRAD52
SCHEMBL8473259 0.88 KMT2A (0.45) KMT2APTGER4MEN1LMNA
SCHEMBL8476486 0.88 PTGER4 (0.50) KMT2APTGER4MEN1POLBRAD52
SCHEMBL7612504 0.87 PTPN7 (0.39) KMT2APTGER4PPARGPPARDPPARA
SCHEMBL8472573 0.87 KMT2A (0.44) KMT2APTGER4HPGDPPARGPPARD
SCHEMBL8479514 0.86 PARP1 (0.38) KMT2APTGER4PPARGPPARDPPARA
SCHEMBL8474553 0.86 PTGER4 (0.47) KMT2APTGER4HPGDMEN1POLB
SCHEMBL8476230 0.86 PTGER4 (0.47) KMT2APTGER4HPGDPOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed