SCHEMBL27876830

SCHEMBL27876830

CC(CCC(=O)O)Oc1ccc(CCN)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
FFAR1 O14842 5/20 0.52
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAOB P27338 2/20 0.41
ACACB O00763 1/20 0.41
FFAR4 Q5NUL3 1/20 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
SCHEMBL27876841 0.88 FFAR1 (0.48) KDM4EFFAR1LMNAL3MBTL1FFAR4
SCHEMBL15330172 0.85 FFAR1 (0.56) KDM4EFFAR1LMNAL3MBTL1ACACB
SCHEMBL24723644 0.81 FFAR1 (0.61) KDM4EFFAR1LMNAL3MBTL1FFAR4
SCHEMBL24723646 0.81 FFAR1 (0.61) KDM4EFFAR1LMNAL3MBTL1FFAR4
SCHEMBL11375150 0.80 KDM4E (0.46) KDM4EFFAR1L3MBTL1
SCHEMBL11338351 0.80 TAAR1 (0.52) TAAR1MAOBACACB
SCHEMBL11502513 0.79 MTNR1A (0.56) KDM4EFFAR1
SCHEMBL3689839 0.77 FFAR1 (0.64) KDM4EFFAR1LMNAL3MBTL1ACACB
SCHEMBL24723648 0.77 FFAR1 (0.64) KDM4EFFAR1LMNAL3MBTL1ACACB
SCHEMBL2553744 0.77 PPARG (0.49) KDM4EFFAR1LMNAL3MBTL1MAOB

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
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed