SCHEMBL7966051

SCHEMBL7966051

O=C(O)CCC(=O)c1cccc2c1ccc1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
KDM4E B2RXH2 3/20 0.65
POLB P06746 3/20 0.65
KMT2A Q03164 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 3/20 0.65
HSD17B10 Q99714 2/20 0.65
GLA P06280 1/20 0.65
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
GMNN O75496 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
BLM P54132 2/20 0.53
PMP22 Q01453 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CMKLR1 Q99788 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL818033 0.90 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL29387947 0.90 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL8460646 0.89 HPGD (0.55) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL28879929 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL29875909 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL29875304 0.81 KDM4E (0.54) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL27952677 0.81 KDM4E (0.54) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL8718849 0.81 NR4A1 (0.74) ALDH1A1HPGDKDM4EKMT2AHSD17B10
SCHEMBL28879996 0.80 PTPN1 (0.54) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL29875165 0.80 PTPN1 (0.54) ALDH1A1HPGDKDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277964-B1 MONOCLONAL ANTIBODY WHICH BINDS POLYCYCLIC AROMATIC COMPOUNDS SUCH AS PHENANTHRENE AND BENZO(A)PYRENE; SENSITIVE AND ACCURATE ENVIRONMENTAL AND EXHAUST GAS MONITORING OSAKA GAS COMPANY LIMITED (JP) 2001-08-21 US disclosed