SCHEMBL8960342

SCHEMBL8960342

O=C(O)c1ccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
CASP6 P55212 1/20 0.54
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
HCAR3 P49019 2/20 0.46
SRD5A2 P31213 2/20 0.46
POLB P06746 2/20 0.46
DTYMK P23919 1/20 0.45
ABCB1 P08183 2/20 0.45
ABCC1 P33527 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 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
SCHEMBL8375405 0.91 TDP1 (0.52) ERN1CASP6TSHRTDP1LMNA
SCHEMBL5193454 0.88 CRHBP (0.59) TSHRTDP1LMNAPOLBDTYMK
Terephthalic Acid SCHEMBL15808957 0.88 CASP6 (0.70) CASP6TSHRTDP1LMNAHCAR3
SCHEMBL17177737 0.88 DTYMK (0.49) ERN1CASP6TSHRTDP1LMNA
SCHEMBL842661 0.86 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL145092 0.86 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL30810715 0.86 CASP6 (0.72) CASP6TSHRLMNAHCAR3POLB
SCHEMBL5196091 0.85 BCL2L1 (0.46) ERN1CASP6TSHRTDP1POLB
Formaldehyde SCHEMBL27611540 0.85 CRHBP (0.56) TSHRLMNAPOLBDTYMKABCB1
SCHEMBL6225779 0.85 MCL1 (0.54) TSHRTDP1POLBDTYMKABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539243-B1 Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof HIRAI HIDEFUMI (JP) 1996-01-24 EP disclosed
US-5319134-A Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof HIDEFUMI HIRAI (JP) 1994-06-07 US disclosed
EP-0539243-A2 Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof Hirai, Hidefumi (JP) 1993-04-28 EP disclosed