SCHEMBL27558354

SCHEMBL27558354

O=CC(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EPHX1 P07099 1/20 0.39
OPRK1 P41145 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5609688 0.78 LMNA (0.47) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL27476915 0.75 LMNA (0.36) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL5609852 0.75 EPHX2 (0.43) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL5609847 0.75 EPHX2 (0.47) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL5609690 0.75 EPHX2 (0.47) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL13994812 0.74 EPHX2 (0.39) LMNAALDH1A1TSHRHPGDEPHX2
SCHEMBL8299816 0.74 ALDH1A1 (0.48) LMNAALDH1A1TSHRHPGDEPHX2
Hydrochloric Acid SCHEMBL1677933 0.71 OPRK1 (0.41) LMNACYP2D6MAPTALDH1A1TSHR
SCHEMBL5253643 0.70 EPHX2 (0.41) CYP2D6MAPTHPGDEPHX2P2RX7
SCHEMBL30011388 0.70 SLC22A2 (0.40) MAPTALDH1A1EPHX2SMN1; SMN2MEN1

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-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN disclosed