SCHEMBL11525938

SCHEMBL11525938

N#CCC(=O)OCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PARP10 Q53GL7 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL27914739 0.80 PARP10 (0.50) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL23932603 0.80 MEN1 (0.52) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL8400366 0.80 EPHX1 (0.51) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL28702056 0.79 TDP1 (0.56) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL21372579 0.79 TDP1 (0.56) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL6677814 0.78 CDYL (0.63) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL20523894 0.78 ALDH1A1 (0.48) TDP1KMT2AMEN1PARP10ATM
SCHEMBL2575314 0.77 EPHX1 (0.55) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL2575317 0.77 TDP1 (0.59) EPHX1TDP1KMT2AMEN1PARP10
SCHEMBL2875640 0.76 TDP1 (0.59) TDP1KMT2AMEN1CYP1A2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed