SCHEMBL9007747

SCHEMBL9007747

CC(C)CN(CC(O)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.61
ACE P12821 13/20 0.61
MMEL1 Q495T6 1/20 0.42
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL8027609 0.95 MME (0.66) MMEACEMMEL1PPARGPPARD
SCHEMBL8521923 0.95 MME (0.60) MMEACEMMEL1PPARGPPARD
SCHEMBL8027099 0.95 MME (0.60) MMEACEMMEL1PPARGPPARD
SCHEMBL8017192 0.94 MME (0.70) MMEACECPA1ACE2PPARG
SCHEMBL8017295 0.91 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8017292 0.91 MME (0.58) MMEACEPPARGPPARD
SCHEMBL8027621 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8027626 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8523126 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8017124 0.90 MME (0.54) MMEACEMMEL1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed