SCHEMBL15330972

SCHEMBL15330972

CC(C)(C)c1ccc2[nH]c(C3CC3)c(C=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
TRPV1 Q8NER1 2/20 0.38
GHSR Q92847 1/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
BRD4 O60885 1/20 0.34
S1PR1 P21453 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL29953069 0.95 KIF11 (0.42) KIF11TRPV1GHSRHTR1DHTR1B
SCHEMBL15332675 0.93 KIF11 (0.41) KIF11TRPV1GHSRHTR1DHTR1B
SCHEMBL29956270 0.86 KDM4E (0.44) KIF11TRPV1MEN1KMT2A
SCHEMBL29957067 0.81 SIRT1 (0.45) MEN1KMT2AMAPTALOX15SMN1; SMN2
SCHEMBL29952771 0.80 KDM4E (0.42) KIF11TRPV1S1PR1MEN1KMT2A
SCHEMBL29957448 0.78 CYP2D6 (0.42) MAPT
SCHEMBL29956720 0.78 KIF11 (0.50) KIF11GHSRHTR1DHTR1BGABRA1
SCHEMBL3223692 0.78 ALDH1A1 (0.50) MEN1KMT2AMAPT
SCHEMBL15332502 0.78 KDM4E (0.42) KIF11HTR1DHTR1BMEN1KMT2A
SCHEMBL29957756 0.78 ALDH1A1 (0.50) MEN1KMT2AMAPT

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 5 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