SCHEMBL7300660

SCHEMBL7300660

CC1(C)C=C(n2cccc(C(=O)O)c2=O)c2ncccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 1/20 0.37
MYC P01106 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
AGER Q15109 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAPRT Q6XQN6 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7297557 0.85 NPC1 (0.34) KDM4ENPC1ALDH1A1HPGD
SCHEMBL7353613 0.84 KDM4E (0.33) KDM4ETDP1NPC1CYP3A4
SCHEMBL7313380 0.83 NPC1 (0.32) NPC1
SCHEMBL7292712 0.83 NPC1 (0.32) NPC1
SCHEMBL7293398 0.82 KDM4E (0.35) KDM4ETDP1NPC1MYCL3MBTL1
SCHEMBL7294380 0.82 MEN1 (0.37) KDM4ENPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL7369558 0.80 NPC1 (0.34) NPC1
SCHEMBL7377775 0.79 CCNC (0.43)
SCHEMBL7292758 0.79 CCNC (0.36) KDM4ETDP1L3MBTL1ALDH1A1MAPT
SCHEMBL7293126 0.79 MET (0.35) TDP1NPC1L3MBTL1ALDH1A1MAPT

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-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed