SCHEMBL29953069

SCHEMBL29953069

CC(C)(C)c1ccc2[nH]c(C3CCCC3)c(C=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
GHSR Q92847 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 3/20 0.34

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
SCHEMBL15332675 0.99 KIF11 (0.41) KIF11HTR1DHTR1BTRPV1GHSR
SCHEMBL15330972 0.95 KIF11 (0.44) KIF11HTR1DHTR1BTRPV1GHSR
SCHEMBL29952771 0.86 KDM4E (0.42) KIF11TRPV1MEN1KMT2AS1PR1
SCHEMBL29956270 0.81 KDM4E (0.44) KIF11TRPV1MEN1KMT2A
SCHEMBL29957489 0.81 SIRT1 (0.46) MEN1MAPTALOX15KMT2ASMN1; SMN2
SCHEMBL10067373 0.81 KIF11 (0.46) KIF11HTR1DHTR1BTRPV1GHSR
SCHEMBL1428728 0.79 MTNR1A (0.54) MEN1MAPTKMT2AMTNR1AMTNR1B
SCHEMBL15331776 0.78 KDM4E (0.42) KIF11HTR1DHTR1BMEN1GLA
SCHEMBL29951013 0.78 MTNR1A (0.55) MEN1MAPTKMT2AMTNR1AMTNR1B
SCHEMBL1429356 0.78 MTNR1A (0.55) MEN1MAPTKMT2AMTNR1AMTNR1B

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 1 patent. 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