SCHEMBL10798035

SCHEMBL10798035

CC(=O)OC/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ NR1I2 O75469 4/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ TDP1 Q9NUW8 7/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ABCC4 O15439 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL10798039 1.00 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10490111 1.00 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10490112 1.00 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10490310 0.94 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10490315 0.94 MAPT (0.43) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9667504 0.93 TDP1 (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9667500 0.93 TDP1 (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9667985 0.92 TDP1 (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL9667991 0.92 TDP1 (0.42) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10490083 0.91 TDP1 (0.42) MAPTNR1I2PPARGALBSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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