SCHEMBL7432156

SCHEMBL7432156

CC(C)[C](Cc1ccc(OCc2ccccc2)cc1)c1ccccc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
MAOB P27338 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL7430127 0.83 ALOX5 (0.50) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL7440686 0.83 ALDH1A1 (0.38) SLC6A2RXRARXRBRXRG
SCHEMBL7435278 0.74 ALDH1A1 (0.36) CYP1A2CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL9129927 0.72 ALOX5 (0.50) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9637755 0.70 MAOB (0.59) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL9451329 0.69 LMNA (0.61) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL9634739 0.69 LMNA (0.72) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL7688711 0.69 LMNA (0.72) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL27038087 0.69 LMNA (0.72) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL419050 0.68 APP (0.69) MAOBLMNACYP1A2PTGS1SLC6A2

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-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed