SCHEMBL995752

SCHEMBL995752

CC(=O)Oc1ccc2ccc3c4ccccc4ccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
HPRT1 P00492 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
GAA P10253 2/20 0.46
ELANE P08246 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
PSMD14 O00487 1/20 0.46

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
SCHEMBL27497870 0.97 MAPT (0.50) MAPTALDH1A1HPGDNPSR1POLB
SCHEMBL29559115 0.92 MAPT (0.57) MAPTALDH1A1HPGDNPSR1POLB
SCHEMBL8941764 0.92 MAPT (0.57) MAPTALDH1A1HPGDNPSR1POLB
SCHEMBL31458565 0.84 TDP1 (0.51) MAPTALDH1A1HPGDKDM4EGLA
SCHEMBL30439313 0.82 KMT2A (0.61) MAPTALDH1A1POLBPDGFRBFGFR1
SCHEMBL30155392 0.82 KMT2A (0.61) MAPTALDH1A1POLBPDGFRBFGFR1
SCHEMBL338523 0.82 KMT2A (0.61) MAPTALDH1A1POLBPDGFRBFGFR1
SCHEMBL27945114 0.81 KMT2A (0.71) MAPTALDH1A1HPGDPOLBPDGFRB
SCHEMBL28989640 0.81 ELANE (0.53) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL10437567 0.80 PDGFRB (0.56) MAPTALDH1A1POLBNPC1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP claimed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO claimed
EP-3256483-A2 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS Hetero Labs Limited (IN) 2017-12-20 EP disclosed
WO-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 WO disclosed