SCHEMBL11126476

SCHEMBL11126476

CC(=O)SC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 6/20 0.67
▸ MMP1 P03956 1/20 0.57
▸ MME P08473 1/20 0.57
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ RARG P13631 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ NR1H2 P55055 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ NR1I3 Q14994 1/20 0.52
▸ ERAP2 Q6P179 1/20 0.52

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
SCHEMBL11126472 1.00 FCER2 (0.67) FCER2MMP1MMECYP1A2CYP3A4
SCHEMBL8895703 0.92 FCER2 (0.66) FCER2MMP1MMEERAP2ERAP1
SCHEMBL8895697 0.92 FCER2 (0.66) FCER2MMP1MMEERAP2ERAP1
SCHEMBL8897334 0.91 FCER2 (0.73) FCER2MMP1ERAP2ERAP1LNPEP
SCHEMBL8897345 0.91 FCER2 (0.73) FCER2MMP1ERAP2ERAP1LNPEP
SCHEMBL11124818 0.91 MME (0.70) FCER2MMECYP1A2CYP3A4CYP2D6
SCHEMBL7324192 0.91 MME (0.70) FCER2MMECYP1A2CYP3A4CYP2D6
SCHEMBL9556647 0.88 FCER2 (0.67) FCER2MMP1MMEERAP2ERAP1
SCHEMBL5870418 0.87 BIRC2 (0.67) FCER2MMECYP1A2CYP3A4CYP2D6
SCHEMBL10952133 0.87 BIRC2 (0.67) FCER2MMECYP1A2CYP3A4CYP2D6

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-0038046-B1 PHARMACEUTICAL AMIDES, AND PREPARATION, FORMULATIONS AND USE THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-29 — — EP disclosed
EP-0038046-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 — — EP disclosed
Send feedback