SCHEMBL20550353

SCHEMBL20550353

CC(C)=CC=CC(C)CCCC(C)=CCc1cc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ PTGS1 P23219 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ CASR P41180 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ ADAMTS4 O75173 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
SCHEMBL20550352 1.00 MTNR1A (0.40) MTNR1AMTNR1BPTGS1PDE4ASNCA
SCHEMBL17866833 0.74 MTNR1A (0.46) MTNR1AMTNR1BPTGS1PDE4ASNCA
SCHEMBL17866835 0.74 MTNR1A (0.46) MTNR1AMTNR1BPTGS1PDE4ASNCA
SCHEMBL7551798 0.73 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2ALOXL2
SCHEMBL25212573 0.69 PTPN1 (0.51) MEN1KMT2A
SCHEMBL11283055 0.69 PTPN1 (0.51) MEN1KMT2A
SCHEMBL11283056 0.69 PTPN1 (0.51) MEN1KMT2A
SCHEMBL6905097 0.68 PTPN1 (0.36) —
SCHEMBL6905099 0.68 PTPN1 (0.36) —
SCHEMBL6253992 0.66 MTNR1A (0.56) MTNR1AMTNR1BMEN1KMT2ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 — — US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 — — US disclosed
Send feedback