SCHEMBL8084818

SCHEMBL8084818

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MARS2 Q96GW9 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
RPLP1 P05386 1/20 0.45
RPLP0 P05388 1/20 0.45
RPS17 P08708 1/20 0.45
RPSA P08865 1/20 0.45
RPS2 P15880 1/20 0.45
RPL35A P18077 1/20 0.45
RPL7 P18124 1/20 0.45
RPL17 P18621 1/20 0.45

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
SCHEMBL6207470 0.82 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL1960513 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4KDM4ENPC1
SCHEMBL6691324 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4KDM4ENPC1
SCHEMBL9137122 0.76 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL27857585 0.76 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL1023275 0.76 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL28436171 0.76 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL8003498 0.74 CA1 (0.66) ALDH1A1TSHRCYP3A4KDM4ENPC1
SCHEMBL4743348 0.74 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4CYP2C19KDM4E
SCHEMBL5178336 0.74 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789179-A CATALYZING REACTION OF CHLORAMPHENICOL AND ACETYL COENZYME A AMERSHAM INTERNATIONAL PLC (GB) 1998-08-04 US claimed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5789179-A CATALYZING REACTION OF CHLORAMPHENICOL AND ACETYL COENZYME A AMERSHAM INTERNATIONAL PLC (GB) 1998-08-04 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed