SCHEMBL11581970

SCHEMBL11581970

N#Cc1ccc(O)c(C(=O)CCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.44
▸ TMPRSS4 Q9NRS4 2/20 0.44
▸ MMP2 P08253 2/20 0.42
▸ HNF4A P41235 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ KDM4A O75164 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ NR4A2 P43354 1/20 0.38

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
SCHEMBL7879462 0.81 HTT (0.48) FFAR1TMPRSS4MEN1KMT2AHTT
SCHEMBL11066386 0.80 HSP90AB1 (0.47) TMPRSS4HNF4AMEN1KMT2AXDH
SCHEMBL30902488 0.79 HNF4A (0.62) TMPRSS4HNF4AMEN1KMT2AHTT
SCHEMBL131551 0.79 HNF4A (0.62) TMPRSS4HNF4AMEN1KMT2AHTT
SCHEMBL11581723 0.78 FFAR1 (0.46) FFAR1HNF4AMEN1KMT2AHTT
Methane SCHEMBL2468798 0.78 HNF4A (0.61) TMPRSS4HNF4AMEN1KMT2AHTT
SCHEMBL2935246 0.75 CA1 (0.61) TMPRSS4MEN1KMT2AHTTP2RX1
SCHEMBL11582937 0.75 MEN1 (0.61) MEN1KMT2AHTTNR4A2
SCHEMBL11581510 0.75 KMT2A (0.72) MEN1KMT2AHTT
SCHEMBL11654727 0.75 HPGD (0.58) MEN1KMT2AHTTEGLN1NR4A2

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-4111936-A PYRIDAZINETHIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 — — US disclosed
Send feedback