SCHEMBL4247918

SCHEMBL4247918

N[C@@H](CO)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MARS2 Q96GW9 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
MMP2 P08253 3/20 0.52
RPLP1 P05386 1/20 0.50
RPLP0 P05388 1/20 0.50
RPS17 P08708 1/20 0.50
RPSA P08865 1/20 0.50
RPS2 P15880 1/20 0.50
RPL35A P18077 1/20 0.50
RPL7 P18124 1/20 0.50
RPL17 P18621 1/20 0.50
RPS4Y1 P22090 1/20 0.50
RPS3 P23396 1/20 0.50
RPS12 P25398 1/20 0.50
RPL13 P26373 1/20 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
SCHEMBL334444 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL725933 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL251728 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL29167395 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL12172739 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL14183583 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL4406664 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL3912679 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
Hydrochloric Acid SCHEMBL11703545 0.98 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
Hydrochloric Acid SCHEMBL10626955 0.98 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603204-A Preparation method and application of chiral scopolamine analogue containing fluorine 平原实验室 2024-02-27 CN claimed
CN-117603204-A Preparation method and application of chiral scopolamine analogue containing fluorine 平原实验室 2024-02-27 CN disclosed
CN-117603204-A Preparation method and application of chiral scopolamine analogue containing fluorine 平原实验室 2024-02-27 CN disclosed
CN-116809115-A Flexible chiral aryl iodine catalyst with clotrimide as chiral source and synthesis method and application thereof 浙江工业大学 2023-09-29 CN disclosed
CN-109232187-B Chiral procaterol analogue and synthetic method and application thereof 西南医科大学 2021-12-24 CN disclosed
EP-1948594-B1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF CHLORAMPHENICOL OR ITS ANALOGUES KRKA (SI) 2013-02-27 EP disclosed
US-20090149657-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF CHLORAMPHENICOL OR ITS ANALOGUES KRKA (SI) 2009-06-11 US disclosed
EP-1948594-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF CHLORAMPHENICOL OR ITS ANALOGUES KRKA (SI) 2008-07-30 EP disclosed
WO-2007054147-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF CHLORAMPHENICOL OR ITS ANALOGUES KRKA (SI) 2007-05-18 WO disclosed
EP-1785414-A1 Process for the synthesis of intermediates of chloramphenicol or its analogues KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2007-05-16 EP disclosed
US-20020072062-A1 Chloramphenicol biosynthetic pathway and gene cluster DIVERSA CORPORATION 2002-06-13 US disclosed
EP-1203083-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION Diversa Corporation (US) 2002-05-08 EP disclosed
WO-2000070056-A9 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORP (US) 2001-11-29 WO disclosed
WO-2000070056-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORPORATION (US) 2000-11-23 WO disclosed
US-4373100-A ANIMAL FEEDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-02-08 US disclosed