SCHEMBL10033189

SCHEMBL10033189

CCOC(=O)CC1CCCC(N[C@@H](C)c2ccccc2)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.39
TEAD1 P28347 2/20 0.37
CCR5 P51681 1/20 0.36
MTTP P55157 1/20 0.35
SMO Q99835 1/20 0.35
RECQL P46063 1/20 0.35
MDM2 Q00987 3/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL10033178 0.85 L3MBTL1 (0.39) RECQLALDH1A1TSHR
SCHEMBL10032824 0.84 GRIA4 (0.40) CCR5RECQL
SCHEMBL10033185 0.83 RECQL (0.33) RECQLKDM4EALDH1A1TSHR
SCHEMBL10033182 0.82 BRD4 (0.38) RECQLKDM4EALDH1A1TSHR
SCHEMBL1709396 0.80 ALDH1A1 (0.38) TACR1KDM4EALDH1A1
SCHEMBL10033188 0.79 MTOR (0.36) TACR1RECQLALDH1A1TSHR
SCHEMBL10032829 0.79 FFAR1 (0.41) TACR1RECQLFFAR1ALDH1A1
SCHEMBL10033186 0.77 TEAD1 (0.39) TACR1TEAD1MTTPSMORECQL
SCHEMBL10033130 0.77 TACR1 (0.41) TACR1KDM4EALDH1A1
SCHEMBL10032830 0.77 GRIA4 (0.41) RECQLKDM4E

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed