SCHEMBL21279784

SCHEMBL21279784

CN1CC2(CCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
GAA P10253 1/20 0.41
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
RARA P10276 3/20 0.40
LMNA P02545 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17447341 0.84 NOTUM (0.63) NOTUMGAARARBRARGRARA
SCHEMBL17436030 0.78 NOTUM (0.61) NOTUMRARBRARGRARACYP26A1
SCHEMBL7404963 0.78 KDM4E (0.51) GAARARBRARGRARALMNA
SCHEMBL3341864 0.76 RARB (0.52) RARBRARGRARACYP26A1CYP26B1
SCHEMBL31396139 0.75 NPY5R (0.48) NOTUM
SCHEMBL21279812 0.75 ALDH1A1 (0.45) NOTUMGAAALDH1A1SLC18A3SIGMAR1
SCHEMBL31330397 0.74 SLC18A3 (0.41) NOTUMSLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL3114973 0.72 RARB (0.46) RARBRARGRARACYP26A1CYP26B1
SCHEMBL20119174 0.70 ALDH1A1 (0.56) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL29932028 0.70 SLC6A4 (0.40) NOTUMLMNASLC18A3SIGMAR1KDM4E

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-3527561-A1 NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2019-08-21 EP disclosed