SCHEMBL6691256

SCHEMBL6691256

O=C(CCl)Nc1c(Cl)cccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.44
MITF O75030 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PBRM1 Q86U86 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL7291906 0.86 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2HTTMITF
SCHEMBL7137597 0.85 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL8478828 0.85 TSHR (0.49) ALDH1A1LMNATSHRPBRM1MEN1
SCHEMBL6691248 0.83 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HTTMITF
SCHEMBL5176884 0.83 ALDH1A1 (0.58) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL9474574 0.82 POLB (0.59) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL8482872 0.80 ERCC1 (0.47) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL2113108 0.79 ALDH1A1 (0.57) ALDH1A1LMNATSHRPBRM1MEN1
SCHEMBL6212630 0.79 PTGS2 (0.44) ALDH1A1LMNATSHRSMN1; SMN2HTT
SCHEMBL6691264 0.79 MAPT (0.53) ALDH1A1LMNATSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed