SCHEMBL6890947

SCHEMBL6890947

CCCc1cc(C2(c3cc(C)c(O)c(CCC)c3)CCCCC2)cc(C)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.67
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
ALOX12 P18054 4/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARA Q07869 1/20 0.39
MAOA P21397 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL6890943 0.90 ACHE (0.55) ACHEESR1ESR2ALOX12LMNA
SCHEMBL20102181 0.87 ACHE (0.71) ACHEESR1ESR2ALOX12LMNA
SCHEMBL20225253 0.84 ACHE (0.71) ACHEESR1ESR2ALOX12LMNA
SCHEMBL8346849 0.84 ACHE (0.71) ACHEESR1ESR2ALOX12LMNA
SCHEMBL10903922 0.82 ESR1 (0.59) ACHEESR1ESR2ALOX12LMNA
SCHEMBL20110099 0.81 ACHE (0.67) ACHEESR1ESR2ALOX12LMNA
SCHEMBL18101022 0.81 ACHE (0.67) ACHEESR1ESR2ALOX12LMNA
SCHEMBL673424 0.81 ACHE (1.00) ACHEESR1ESR2ALOX12LMNA
SCHEMBL675004 0.81 ACHE (1.00) ACHEESR1ESR2ALOX12LMNA
SCHEMBL10941758 0.81 ACHE (1.00) ACHEESR1ESR2ALOX12LMNA

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-6777464-B1 ELECTRONIC CIRCUIT-CONNECTING MATERIAL HAVING A SUPERIOR LOW-TEMPERATURE RAPID CURABILITY AND ALSO HAVING A LONG POT LIFE HITACHI CHEMICAL COMPANY, LTD. (JP) 2004-08-17 US disclosed