SCHEMBL7764648

SCHEMBL7764648

COc1ccc(C(CCN(Cc2ccccc2)C(Oc2ccccc2)C(C)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.42
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
PLIN1 O60240 1/20 0.41
GSTO1 P78417 1/20 0.41
PLIN5 Q00G26 1/20 0.41

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
SCHEMBL7610980 0.89 MEN1 (0.44) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7611484 0.88 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7764640 0.86 LPAR1 (0.41) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6985420 0.86 PPARG (0.48) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL7769464 0.86 CASR (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7768607 0.84 SMN1; SMN2 (0.44) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7611651 0.82 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7605451 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6027885 0.81 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL7612302 0.78 ALOX5 (0.45) KMT2AMEN1ALDH1A1MAPTLMNA

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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed