SCHEMBL9836784

SCHEMBL9836784

O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 3/20 0.65
TSHR P16473 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MARS2 Q96GW9 1/20 0.65
CYP2C19 P33261 1/20 0.65
RPLP1 P05386 1/20 0.59
RPLP0 P05388 1/20 0.59
RPS17 P08708 1/20 0.59
RPSA P08865 1/20 0.59
RPS2 P15880 1/20 0.59
RPL35A P18077 1/20 0.59
RPL7 P18124 1/20 0.59
RPL17 P18621 1/20 0.59
RPS4Y1 P22090 1/20 0.59
RPS3 P23396 1/20 0.59
RPS12 P25398 1/20 0.59
RPL13 P26373 1/20 0.59
RPL10 P27635 1/20 0.59

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
SCHEMBL14338229 0.85 TSHR (0.52) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL14338193 0.85 TSHR (0.52) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL14338191 0.85 TSHR (0.52) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL7091990 0.85 LMNA (0.66) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL14568970 0.85 LMNA (0.66) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL12862945 0.85 TSHR (0.52) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL31037745 0.84 LMNA (0.47) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL10777805 0.84 LMNA (0.66) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL1753533 0.84 LMNA (0.70) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2
SCHEMBL29651721 0.84 LMNA (0.66) ALDH1A1LMNACYP3A4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272684-B1 DERIVATIVES OF N-(METHYLSULPHONYLPHENYLETHYL)-2-PROPENAMIDES AND THEIR USE AS ANTIBIOTICS ZAMBON S.p.A. (IT) 1991-06-12 EP disclosed
US-4918095-A Compositions with antibiotic activity and their use ZAMBON S.P.A. (IT) 1990-04-17 US disclosed
EP-0272684-A2 Derivatives of N-(methylsulphonylphenylethyl)-2-propenamides and their use as antibiotics ZAMBON S.p.A. (IT) 1988-06-29 EP disclosed