SCHEMBL9157076

SCHEMBL9157076

N#CC(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.64
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PGR P06401 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL9017605 0.90 DHODH (0.61) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017554 0.90 DHODH (0.61) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017570 0.90 DHODH (0.61) DHODHMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL9017543 0.90 DHODH (0.65) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017547 0.90 DHODH (0.61) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017561 0.90 DHODH (0.61) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017564 0.90 DHODH (0.61) DHODHMAPTRAB9AFNTAFNTB
SCHEMBL9017576 0.88 DHODH (0.69) DHODHMAPTRAB9AEPHX1ALDH1A1
SCHEMBL9017565 0.87 DHODH (0.86) DHODHFNTAFNTBEPHX2
SCHEMBL9017542 0.87 DHODH (0.67) DHODHEPHX1EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389652-A Antiinflammatory agent ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US disclosed