SCHEMBL27718581

SCHEMBL27718581

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=C(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
LMNA P02545 2/20 0.53
EFNA1 P20827 1/20 0.53
EPHA2 P29317 1/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 1/20 0.51
GABRP O00591 4/20 0.49
GABRD O14764 4/20 0.49
GABRA1 P14867 4/20 0.49

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
SCHEMBL28449636 0.89 GRIN1 (0.51) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6044996 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL13988189 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11060164 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL5481340 0.87 MEN1 (0.52) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6045004 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11345742 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497658 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497657 0.87 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL5481343 0.87 MEN1 (0.52) MEN1KMT2AAKR1B10AKR1B1LMNA

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-100378118-C Pharmaceutical composition with appetite suppressant activity CSIR (ZA) 2008-04-02 CN disclosed