SCHEMBL14949885

SCHEMBL14949885

Cc1ccc(-c2ccc3c(O)c(O)c4ccc(C)cc4c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.43
▸ LDHA P00338 2/20 0.41
▸ LDHB P07195 2/20 0.41
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ MAPKAPK2 P49137 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ MAP2K4 P45985 1/20 0.39
▸ MAPKAPK3 Q16644 1/20 0.39
▸ MAPK6 Q16659 1/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ALB P02768 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL19203130 0.80 LDHA (0.47) LDHALDHBTRPA1ALBACHE
SCHEMBL29566699 0.77 LDHA (0.48) LDHALDHBTRPA1ALBACHE
SCHEMBL21751239 0.77 LDHA (0.48) LDHALDHBTRPA1ALBACHE
SCHEMBL22978749 0.76 MAOB (0.46) MCL1PLGPLAUPLATMAPK1
SCHEMBL21751240 0.71 PKM (0.52) LDHALDHBTRPA1ALBACHE
SCHEMBL29566489 0.71 PKM (0.52) LDHALDHBTRPA1ALBACHE
SCHEMBL12580605 0.71 ALOX5 (0.43) ESR1ESR2MAPTKDM4EMEN1
SCHEMBL8840917 0.71 CYP1A2 (0.50) LDHALDHBTRPA1ACHETP53
SCHEMBL3873030 0.71 CYP1A2 (0.50) LDHALDHBTRPA1ACHETP53
SCHEMBL17536904 0.71 PTPN5 (0.44) ESR1ACHEMAOBTDP1MAPT

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
US-20130122367-A1 LITHIUM PRIMARY CELL PANASONIC CORPORATION (JP) 2013-05-16 — — US disclosed
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