SCHEMBL6695002

SCHEMBL6695002

CCCN(C(C)=O)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
PAX8 Q06710 2/20 0.56
GPX4 P36969 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 4/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
JAK2 O60674 1/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.46
TSPO P30536 1/20 0.46
POLQ O75417 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL378758 0.87 RAB9A (0.56) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL18200116 0.86 POLQ (0.52) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL14577832 0.85 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL10454094 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL13164569 0.85 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL11704247 0.85 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL7711085 0.84 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL9660333 0.83 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL24832966 0.83 TSPO (0.47) ALDH1A1RAB9ANPC1PAX8GPX4
SCHEMBL2085399 0.82 MTNR1A (0.49) ALDH1A1RAB9ANPC1PAX8GPX4

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