SCHEMBL7436816

SCHEMBL7436816

CC([CH]c1ccccc1)CCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11349841 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL5410684 0.79 SIGMAR1 (0.43) SIGMAR1CYP2C9CYP2C19L3MBTL1
SCHEMBL27460410 0.79 LMNA (0.41) ALDH1A1
SCHEMBL8398246 0.79 SIGMAR1 (0.43) SIGMAR1CYP2C9CYP2C19L3MBTL1
SCHEMBL585515 0.79 SIGMAR1 (0.45) SIGMAR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7746454 0.78 MAOA (0.44) SIGMAR1L3MBTL1
SCHEMBL8350621 0.76 SIGMAR1 (0.44) SIGMAR1
SCHEMBL19090603 0.76 SIGMAR1 (0.50) SIGMAR1L3MBTL1
SCHEMBL108633 0.76 LMNA (0.54) SIGMAR1L3MBTL1
SCHEMBL11644542 0.74 SIGMAR1 (0.48) SIGMAR1L3MBTL1

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-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO disclosed