SCHEMBL8713659

SCHEMBL8713659

CCOC(=O)C1C(c2ccccc2)=C1c1ccccc1.O=C(O)C1C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2653688 0.95 TSHR (0.53) TSHRLMNARAB9AATML3MBTL1
SCHEMBL8179771 0.85 ALDH1A1 (0.51) TSHRLMNAATML3MBTL1ALDH1A1
SCHEMBL26688084 0.83 L3MBTL1 (0.51) TSHRLMNARAB9AATML3MBTL1
SCHEMBL8188601 0.82 GABRA2 (0.47) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL7823315 0.81 LMNA (0.67) TSHRLMNARAB9AALDH1A1MAPT
SCHEMBL26688063 0.81 TSHR (0.44) TSHRRAB9AATML3MBTL1ALDH1A1
SCHEMBL20540334 0.81 TSHR (0.48) TSHRLMNARAB9AATML3MBTL1
SCHEMBL20511467 0.81 TSHR (0.48) TSHRLMNARAB9AATML3MBTL1
SCHEMBL26688060 0.80 ATM (0.45) TSHRRAB9AATML3MBTL1ALDH1A1
SCHEMBL22640237 0.80 TSHR (0.47) TSHRRAB9AATML3MBTL1ALDH1A1

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-1998003491-A1 DIPHENYL-CYCLOPROPENES AS SELECTIVE K-AGONISTS WARNER-LAMBERT COMPANY (US) 1998-01-29 WO disclosed