SCHEMBL6696944

SCHEMBL6696944

CCCc1cc(C)ccc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
AKT1 P31749 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FPR1 P21462 3/20 0.43
SLC13A5 Q86YT5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CFD P00746 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ADORA2A P29274 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL27834431 0.88 LMNA (0.52) LMNAAKT1ALDH1A1RAB9ANPC1
SCHEMBL982330 0.87 SLC13A5 (0.45) ALDH1A1SLC13A5KDM4EGAATSHR
SCHEMBL28898703 0.85 KDM4E (0.51) LMNAAKT1ALDH1A1RAB9ANPC1
SCHEMBL8197650 0.81 LMNA (0.48) LMNAAKT1ALDH1A1RAB9ANPC1
SCHEMBL9165101 0.81 TSHR (0.63) LMNAAKT1ALDH1A1RAB9AKDM4E
SCHEMBL21771920 0.79 LMNA (0.46) LMNAAKT1ALDH1A1RAB9ANPC1
SCHEMBL7095256 0.78 CFD (0.50) LMNAAKT1FPR1GAACFD
SCHEMBL18087540 0.78 AKR1C3 (0.63) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL989967 0.78 PTGER1 (0.46) ALDH1A1SLC13A5KDM4EGAATSHR
SCHEMBL12807522 0.78 AKT1 (0.48) LMNAAKT1ALDH1A1RAB9ANPC1

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