SCHEMBL6929828

SCHEMBL6929828

O=C(NOC(=O)C(O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CTSL P07711 1/20 0.49
CTRB1 P17538 5/20 0.49
TACR1 P25103 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
PIN1 Q13526 2/20 0.47
MDM2 Q00987 1/20 0.46
SRR Q9GZT4 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL5994752 0.88 SRR (0.47) KMT2ANPC1RAB9ACTRB1SRR
SCHEMBL7747380 0.86 ALDH1A1 (0.50) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL7747823 0.86 ALDH1A1 (0.50) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL8024394 0.86 SLC7A5 (0.54) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL27441072 0.84 ALDH1A1 (0.51) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL8583257 0.84 ALPI (0.47) ALDH1A1NPC1RAB9ACTRB1TACR1
SCHEMBL11680719 0.79 HPGD (0.58) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL3425339 0.78 ATM (0.51) CTSLACE
SCHEMBL979240 0.78 KMT2A (0.55) ALDH1A1POLBMAPTKMT2ANPC1
SCHEMBL180159 0.78 KMT2A (0.55) ALDH1A1POLBMAPTKMT2ANPC1

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-1368328-A1 METHODS FOR PREPARING NEW TAXOIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2003-12-10 EP claimed
WO-2002070498-A1 METHODS FOR PREPARING NEW TAXOIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA, S.A. (FR) 2002-09-12 WO claimed