SCHEMBL8779381

SCHEMBL8779381

O=C(O)C=CC(=O)NCCCCCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
ADRA1A P35348 1/20 0.55
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.52
TAAR1 Q96RJ0 2/20 0.51
MAPK1 P28482 1/20 0.49
EPHX2 P34913 7/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PLA2G2A P14555 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL11133362 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11133946 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11141321 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL515857 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL81977 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11137045 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL24686717 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL8779450 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL8779440 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11136996 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1

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
EP-0507348-B1 Superoxide dismutase derivatives KURARAY CO (JP) 1997-07-09 EP disclosed
US-5360914-A Intermediates for superoxide dismutase derivatives KURARAY CO., LTD. (JP) 1994-11-01 US disclosed
US-5238837-A Antiinflammatory agents, antiulcer agents KURARAY CO., LTD. (JP) 1993-08-24 US disclosed
EP-0507348-A2 Superoxide dismutase derivatives KURARAY CO., LTD. (JP) 1992-10-07 EP disclosed