SCHEMBL7664875

SCHEMBL7664875

O=C(O)Cc1ccc(C2=C3C=CC(=N3)C(c3ccc(CC(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(CC(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(CC(=O)O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CA2 P00918 1/20 0.44
▸ CAMK2A Q9UQM7 1/20 0.44
▸ AKR1B1 P15121 1/20 0.42
▸ RXRA P19793 4/20 0.41
▸ RXRB P28702 4/20 0.41
▸ RXRG P48443 4/20 0.41
▸ QPCT Q16769 1/20 0.40
▸ FFAR1 O14842 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ NSD2 O96028 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
SCHEMBL3280584 0.83 LMNA (0.44) LMNAGAATSHRABCC4PTGS1
SCHEMBL6688847 0.80 PTGS1 (0.39) LMNAGAATSHRABCC4PTGS1
SCHEMBL3475755 0.77 TSHR (0.44) TSHRCA2RXRARXRBALDH1A1
SCHEMBL29239614 0.77 TSHR (0.42) LMNAGAATSHRABCC4PTGS1
SCHEMBL15523219 0.76 ALOX15 (0.47) TSHRFFAR1ALDH1A1HPGDKDM4E
SCHEMBL21768343 0.76 TP53 (0.43) TSHRCA2RXRARXRBALDH1A1
SCHEMBL25394857 0.73 NPC1 (0.47) GAATSHRALDH1A1HPGDNR1H4
SCHEMBL180350 0.73 TSHR (0.42) LMNAGAATSHRABCC4PTGS1
SCHEMBL25395879 0.73 NPC1 (0.47) GAATSHRALDH1A1HPGDNR1H4
SCHEMBL28164518 0.73 FAAH (0.38) LMNAGAATSHRABCC4PTGS1

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-6372727-B1 ADMINISTERING IRON PORPHYRIN TO TREAT AMYOTROPHIC LATERAL SCLEROSIS; TREATING OXIDATIVE INJURY RELATED TO PEROXYNITRITE UAB RESEARCH FOUNDATION 2002-04-16 — — US claimed
US-6372727-B1 ADMINISTERING IRON PORPHYRIN TO TREAT AMYOTROPHIC LATERAL SCLEROSIS; TREATING OXIDATIVE INJURY RELATED TO PEROXYNITRITE UAB RESEARCH FOUNDATION 2002-04-16 — — US disclosed
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