SCHEMBL11098099

SCHEMBL11098099

CC(CO)C(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 3/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15187940 1.00 SHBG (0.42) SHBGTP53KDM4EGMNNLMNA
SCHEMBL10077547 0.81 SHBG (0.56) SHBGTP53KDM4EGMNNLMNA
SCHEMBL11797019 0.81 TP53 (0.41) SHBGTP53KDM4EGMNNLMNA
SCHEMBL15660950 0.81
SCHEMBL17060908 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL295412 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL9819929 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL9921613 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL9898281 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL295725 0.77 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US claimed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US claimed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 US claimed
US-4474748-A ANTIBIOTICS, FUNGICIDES, ANTISEPTICS JOHNSON & JOHNSON (US) 1984-10-02 US disclosed
US-4321257-A Potentiated medicaments JOHNSON & JOHNSON (US) 1982-03-23 US disclosed
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US disclosed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US disclosed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 US disclosed