SCHEMBL10690742

SCHEMBL10690742

CN(Cc1ccc(Cl)cc1)c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.61
MEP1A Q16819 1/20 0.53
MEP1B Q16820 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
AKR1C3 P42330 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.45
CXCR3 P49682 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL10687046 0.87 PPARA (0.62) PPARAMEP1BKMT2AMEN1RXRA
SCHEMBL10373059 0.82 RXRA (0.58) KMT2AMEN1NR4A2RXRARXRB
SCHEMBL10689680 0.79 LTB4R2 (0.49) PPARAMEP1AMEP1BKMT2AMEN1
SCHEMBL9807147 0.79 ALDH1A1 (0.50) PPARAKMT2AMEN1ALDH1A1POLB
SCHEMBL9807149 0.78 CRHBP (0.57) ALDH1A1POLBRAB9ALMNAHTT
SCHEMBL27998959 0.77 POLB (0.62) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL3599505 0.77 HDAC1 (0.59) PPARAKMT2AMEN1RXRARXRB
SCHEMBL1574123 0.77 PPARA (0.50) PPARAKMT2AL3MBTL1ALDH1A1POLB
SCHEMBL13064484 0.77 MEN1 (0.78) KMT2AMEN1ALDH1A1TAS2R14CXCR3
SCHEMBL10464181 0.76 PPARA (0.44) PPARAPOLBLMNALTB4R2

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed