SCHEMBL5683603

SCHEMBL5683603

CCC[C@@H]1CC[C@H]2[C@H](CC[C@H]3CC(c4ccc(F)cc4)CC[C@@H]32)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ESR2 Q92731 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ADRB2 P07550 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31

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
SCHEMBL5683612 1.00 MEN1 (0.43) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6459410 0.93 CYP2C9 (0.44) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6459404 0.93 CYP2C9 (0.44) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6454896 0.89 CYP2C9 (0.42) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6454892 0.89 CYP2C9 (0.42) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683851 0.87 MEN1 (0.44) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL12032226 0.87 CYP2C9 (0.48) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL12032005 0.87 CYP2C9 (0.48) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL12031929 0.87 CYP2C9 (0.49) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683761 0.86 MEN1 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed