SCHEMBL2553798

SCHEMBL2553798

O=CC1C2C=CC(C2)C1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CPB1 P15086 2/20 0.47
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TLR4 O00206 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
SCHEMBL30221997 0.88 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL8886224 0.84 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4386420 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL3203924 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4379957 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL3204209 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL19437142 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL3219056 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL3223441 0.82 ALDH1A1 (0.53) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL13643316 0.80 CPB1 (0.50) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-5650535-A FORMING NORBORNENE BY CHEMICAL CONDENSATION OF UNSATURATED ESTER WITH CYCLOPENTADIENE IN TRIETHYLAMINE G. D. SEARLE & CO. (US) 1997-07-22 US disclosed
US-5541344-A 5-HT AGONISTS, ANTAGONISTS, IODINATED TRICYLIC LACTONES G. D. SEARLE & CO. (US) 1996-07-30 US disclosed