SCHEMBL7338798

SCHEMBL7338798

CCCCCCOc1ccc(-c2nccc(-c3ccc(C(=O)OC)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ RARB P10826 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ ALPL P05186 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL7333362 0.88 RARB (0.71) MAPTMEN1KMT2AALDH1A1RARB
SCHEMBL10689392 0.88 MAPT (0.64) MAPTMEN1KMT2AALDH1A1RARB
SCHEMBL7169582 0.85 RARB (0.73) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL7324135 0.85 RARB (0.73) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL9820479 0.85 RARB (0.73) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL5352926 0.85 RARB (0.73) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL9164200 0.85 RARB (0.73) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL7324066 0.84 RARB (0.70) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL6914074 0.84 RARB (0.70) MAPTRARBSMN1; SMN2NPC1LMNA
SCHEMBL3051368 0.83 MAPT (0.74) MAPTRARBSMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 — — EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 — — US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 — — US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 — — EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 — — WO disclosed
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