SCHEMBL8996906

SCHEMBL8996906

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(SCC3COCO3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ PGR P06401 3/20 0.41
▸ DAO P14920 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ ABCC4 O15439 2/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ APEX1 P27695 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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
SCHEMBL8996884 1.00 NR1I2 (0.43) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL9844631 0.94 KMT2A (0.39) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8996916 0.94 NR1I2 (0.38) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8996908 0.94 NR1I2 (0.38) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8996898 0.93 NR1I2 (0.44) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8997037 0.93 NR1I2 (0.44) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8997068 0.91 NR1I2 (0.43) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8997075 0.91 NR1I2 (0.43) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8996820 0.91 NR1I2 (0.43) NR1I2HTR2CKMT2APTGS1ABCB11
SCHEMBL8997074 0.90 NR1I2 (0.42) NR1I2HTR2CKMT2APTGS1ABCB11

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
EP-0432042-B1 Cephalosporin derivatives and their production and uses MEIJI SEIKA KAISHA (JP) 1996-08-28 — — EP disclosed
US-5332731-A Antibiotics as bactericides MEIJI SEIKA KAISHA, LTD. (JP) 1994-07-26 — — US disclosed
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