SCHEMBL19982879

SCHEMBL19982879

CCC1CCCC(C)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL14137797 0.91 KDM4E (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL21779737 0.80 KDM4E (0.37) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL19983270 0.78 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL19983269 0.77 KDM4E (0.35) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL27374342 0.77 CYP1A2 (0.31)
SCHEMBL24731320 0.74 ALDH1A1 (0.39) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL178339 0.74 KDM4E (0.42) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL19983259 0.73 CYP1A2 (0.34) ALDH1A1
SCHEMBL19982905 0.72 KDM4E (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL17835279 0.71 APLNR (0.36) POLB

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-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed