SCHEMBL6579892

SCHEMBL6579892

O=C(CCCCCCCCc1ccccc1)Nc1cccc(C(=O)CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55

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
SCHEMBL8113896 0.99 NPC1 (0.61) NPC1RAB9APOLBMAPTGAA
SCHEMBL8115142 0.95 NPC1 (0.66) NPC1RAB9APOLBMAPTGAA
SCHEMBL6582663 0.90 MAPT (0.73) NPC1RAB9APOLBMAPTGAA
SCHEMBL7147082 0.88 SMN1; SMN2 (0.64) NPC1RAB9APOLBMAPTGAA
SCHEMBL6577998 0.84 NR1H4 (0.65) RAB9APOLBMAPTALDH1A1MEN1
SCHEMBL6579989 0.83 MEN1 (0.59) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL6579757 0.83 MEN1 (0.59) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL28099312 0.82 MAPT (0.74) NPC1RAB9AMAPTALDH1A1HDAC1
SCHEMBL4658103 0.82 GAA (0.69) NPC1RAB9APOLBMAPTGAA
SCHEMBL6580505 0.81 KMT2A (0.69) POLBMAPTALDH1A1HPGDMEN1

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
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed