SCHEMBL11619785

SCHEMBL11619785

O=C(O)c1cccc2c(-c3cccc(Cl)c3)coc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ EGFR P00533 3/20 0.46
▸ MCL1 Q07820 2/20 0.44
▸ BAD Q92934 2/20 0.44
▸ DCLRE1B Q9H816 1/20 0.44
▸ ABL1 P00519 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ RORB Q92753 1/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10547068 0.85 HNF4A (0.50) ALOX15ALOX12NPC1L3MBTL1PSMD14
SCHEMBL11621083 0.80 MCL1 (0.46) MCL1PSMD14ALDH1A1TP53DHODH
SCHEMBL13990447 0.77 DCLRE1B (0.44) ALOX15ALOX12PIK3CAMCL1BAD
SCHEMBL11623441 0.77 GPR35 (0.44) BADCA12CA9NPC1RAB9A
SCHEMBL11704945 0.77 ALOX15 (0.49) ALOX15ALOX12PIK3CAEGFRABL1
SCHEMBL269867 0.76 HNF4A (0.53) MCL1BADDCLRE1BNPC1RAB9A
SCHEMBL8876175 0.75 ALOX15 (0.58) ALOX15ALOX12PIK3CANPC1RAB9A
SCHEMBL11621112 0.74 PSMD14 (0.56) NPC1RAB9APSMD14ALDH1A1TP53
SCHEMBL10983495 0.73 CYP1A1 (0.63) —
SCHEMBL121632 0.72 DHODH (0.70) DCLRE1BNPC1RAB9AL3MBTL1TP53

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-4124603-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 — — US disclosed
US-4067993-A Antimicrobial 2-nitro-3-phenylbenzofurancarboxylic acids RIKER LABORATORIES, INC. (US) 1978-01-10 — — US disclosed
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