SCHEMBL7696381

SCHEMBL7696381

O=C(c1ccccc1)c1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
XBP1 P17861 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FOLH1 Q04609 1/20 0.49
HNF4A P41235 1/20 0.48
SRD5A2 P31213 1/20 0.48
MMP9 P14780 1/20 0.47
KMO O15229 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
BCAT2 O15382 1/20 0.47
PBRM1 Q86U86 1/20 0.45

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
SCHEMBL301948 0.88 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL28303206 0.86 HNF4A (0.59) ALDH1A1L3MBTL1TDP1ATMKMT2A
Water SCHEMBL9731251 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL26803787 0.86 NR4A1 (0.53) ALDH1A1L3MBTL1ATMKMT2AMEN1
SCHEMBL17748183 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL27858181 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL27489172 0.85 AKR1C3 (0.60) ALDH1A1ATMFOLH1HNF4AMAPT
SCHEMBL27451167 0.82 GABRA1 (0.50) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL11459853 0.82 NR1H2 (0.49) ALDH1A1L3MBTL1TDP1ATMKMT2A
SCHEMBL593127 0.81 FOLH1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2FOLH1

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-6339666-B2 NONDELAMINATING COATING FOR OPTICAL FIBERS DSM N.V. (NL) 2002-01-15 US disclosed