SCHEMBL11199855

SCHEMBL11199855

COC1CCN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DNMT3A Q9Y6K1 1/20 0.48
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ NLRP3 Q96P20 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL11191065 0.89 MAPT (0.54) DNMT3ALMNAMAPK1MAPTPOLB
SCHEMBL11186679 0.89 POLB (0.42) LMNAMAPTPOLB
SCHEMBL11193056 0.88 MAPT (0.46) DNMT3ALMNAMAPK1MAPTPOLB
SCHEMBL11182439 0.87 LMNA (0.48) DNMT3ALMNAMAPK1MAPTPOLB
SCHEMBL11214411 0.87 LMNA (0.43) DNMT3ALMNAMAPK1MAPTPOLB
SCHEMBL11441498 0.86 MCHR1 (0.56) DNMT3ALMNAMAPTPOLBMCHR1
SCHEMBL11165531 0.85 MCHR1 (0.55) LMNAMAPTPOLBMCHR1
SCHEMBL10356773 0.85 MCHR1 (0.55) LMNAMAPTPOLBMCHR1
SCHEMBL11165965 0.85 MCHR1 (0.55) LMNAMAPTPOLBMCHR1
SCHEMBL11178554 0.85 MAPT (0.52) LMNAMAPK1MAPTPOLBHPGD

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
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
Send feedback