SCHEMBL11219829

SCHEMBL11219829

Cc1cc(C)c([Ni]c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.43
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PON1 P27169 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL599041 0.73 KDM4E (0.60) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL27921849 0.69 RAPGEF4 (0.45) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL4884877 0.69 CYP1A2 (0.50) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL317299 0.67 RAPGEF4 (0.50) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL1551822 0.67 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL28951 0.67 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL38659759 0.67 ELANE (0.41) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL10412763 0.65 RAPGEF4 (0.56) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL5180888 0.65 RAPGEF4 (0.56) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL28482658 0.65 RAPGEF4 (0.56) RAPGEF4KDM4EALDH1A1LMNAGAA

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-4339595-A Hexa(meta-,para-carboxyphenyl)benzene compounds STANDARD OIL COMPANY (INDIANA) (US) 1982-07-13 US disclosed