SCHEMBL16431238

SCHEMBL16431238

CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2cnc[nH]2)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.56
TACR1 P25103 5/20 0.55
TACR2 P21452 4/20 0.55
MMP2 P08253 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51

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
SCHEMBL31094302 0.85 SMN1; SMN2 (0.61) OXTRSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL24614245 0.83 HDAC3 (0.72) OXTRHDAC3HDAC4HDAC1HDAC7
SCHEMBL30833606 0.83 HDAC3 (0.72) OXTRHDAC3HDAC4HDAC1HDAC7
SCHEMBL30358025 0.82 OXTR (0.84) OXTRSMN1; SMN2TACR1MMP2HDAC3
SCHEMBL29553179 0.81 TACR1 (0.61) TACR1TACR2HDAC3HDAC4HDAC1
SCHEMBL21429006 0.79 TACR2 (0.56) TACR2HDAC3HDAC1HDAC8
SCHEMBL30538860 0.79 TACR2 (0.56) TACR2HDAC3HDAC1HDAC8
Brevianamide F SCHEMBL2018181 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
Brevianamide F SCHEMBL2039877 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
Brevianamide F SCHEMBL30020520 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
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
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed