SCHEMBL11550481

SCHEMBL11550481

Cc1oc2cc(OC(C)O)ccc2c(=O)c1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
MAPT P10636 7/20 0.72
ALDH1A1 P00352 9/20 0.71
CYP1A2 P05177 3/20 0.71
CYP2C19 P33261 3/20 0.71
CYP2C9 P11712 2/20 0.71
KMT2A Q03164 7/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 2/20 0.50
GAA P10253 4/20 0.49

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
SCHEMBL11553727 0.90 KDM4E (0.76) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL11552361 0.86 ALDH1A1 (0.68) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL4683758 0.84 KDM4E (1.00) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3204569 0.83 ALDH1A1 (1.00) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL28133844 0.81 KDM4E (0.73) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL11550484 0.81 ALDH1A1 (0.71) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8983955 0.80 KDM4E (0.62) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10623010 0.80 KDM4E (0.68) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10809064 0.80 ALDH1A1 (0.59) KDM4EMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10806899 0.79 ALDH1A1 (0.58) KDM4EMAPTALDH1A1CYP1A2CYP2C19

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