SCHEMBL11557002

SCHEMBL11557002

CCCCOc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
CYP1A2 P05177 3/20 0.71
CYP2C9 P11712 3/20 0.71
CYP2C19 P33261 3/20 0.71
KDM4E B2RXH2 4/20 0.65
MAPT P10636 4/20 0.65
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
THRB P10828 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
XDH P47989 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50

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
SCHEMBL11835043 0.98 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10624531 0.96 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11556284 0.96 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11560756 0.95 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11550484 0.90 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11557697 0.90 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8984000 0.86 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10623137 0.85 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3204569 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8983924 0.83 KDM4E (0.70) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed