SCHEMBL7326178

SCHEMBL7326178

COC(=O)C(CCCCc1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46

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
SCHEMBL16673142 0.87 SMN1; SMN2 (0.48) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL8089064 0.85 FAAH (0.51) FAAH
SCHEMBL6190476 0.85 KMT2A (0.48) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL16156176 0.85 KMT2A (0.48) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL16149006 0.85 KMT2A (0.48) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL30423678 0.84 FAAH (0.52) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL8077436 0.84 FAAH (0.47) FAAH
SCHEMBL28742911 0.84 KMT2A (0.47) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL7319532 0.83 MAPT (0.51) KMT2AHPGDALDH1A1CYP2D6CYP2C9
SCHEMBL8251691 0.82 SMN1; SMN2 (0.51) KMT2ACYP2D6CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262431-A Treating amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0275482-B1 PROLINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1993-01-20 EP disclosed
US-5112847-A PROLINAL DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROLYL ENDOPEPTIDASE ONO PHARMACEUTICAL CO., LTD. (JP) 1992-05-12 US disclosed
US-4983624-A Anemia ONO PHARMACEUTICAL CO., LTD (JP) 1991-01-08 US disclosed
EP-0275482-A2 Proline derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-07-27 EP disclosed