SCHEMBL2553965

SCHEMBL2553965

CC1CCCCC1(Oc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
CYP2A6 P11509 1/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A3 P47895 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL2552756 0.85 SRC (0.39) ALDH1A1TRPM8KMT2ARAB9A
SCHEMBL2563548 0.75 MAP4K4 (0.43) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL15332456 0.75 ALDH1A1 (0.39) ALDH1A1TRPM8CYP2A6KMT2AALDH1A3
SCHEMBL2558259 0.74 MAP4K4 (0.43) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL2562466 0.74 MAP4K4 (0.43) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E
SCHEMBL2560489 0.74 CYP1A2 (0.35) ALDH1A1TRPM8CYP2A6KMT2AALDH1A3
SCHEMBL16061613 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4E
SCHEMBL16059965 0.73 ESR1 (0.35) KDM4E
SCHEMBL14108568 0.68 ALDH1A3 (0.38) ALDH1A1TRPM8CYP2A6KMT2AALDH1A3
SCHEMBL2558816 0.67 ALDH1A1 (0.46) ALDH1A1CYP2A6KMT2AALDH1A3KDM4E

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 7 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