SCHEMBL4619472

SCHEMBL4619472

Cc1cc(C)c(Oc2ccc3cccc(O)c3n2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.50
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AGTR1 P30556 3/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3227590 0.81 METAP2 (0.57) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL4626576 0.78 MEN1 (0.56) METAP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL4624601 0.77 KMT2A (0.48) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL1043719 0.74 METAP2 (0.58) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL2095245 0.73 AGTR1 (0.58) KMT2AMEN1AGTR1NPC1RAB9A
SCHEMBL4624293 0.73 KDM4E (0.49) METAP2KDM4EKMT2AMEN1PLAU
8-Hydroxy Quinaldine SCHEMBL2434060 0.73 METAP2 (0.72) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL30457998 0.73 METAP2 (0.56) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL29040602 0.73 METAP2 (0.56) METAP2KDM4EKMT2AMEN1PLAU
SCHEMBL29040599 0.73 METAP2 (0.56) METAP2KDM4EKMT2AMEN1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306191-A1 Polyisocyanate and Waterglass Based Hybrid Resins, Composites Containing Them and Process to Produce Them POLINVENT KFT. (HU) 2008-12-11 US disclosed
EP-1791886-B1 POLYISOCYANATE AND WATERGLASS BASED HYBRID RESINS, COMPOSITES CONTAINING THEM AND PROCESS TO PRODUCE THEM POLINVENT KFT (HU) 2008-07-16 EP disclosed