SCHEMBL19386929

SCHEMBL19386929

CCC(C)C(=O)OC(C)(C)CC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCN[C@H](O)[C@H](C(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.55
RCOR1 Q9UKL0 2/20 0.55
TERF2IP Q9NYB0 11/20 0.35
TERF2 Q15554 2/20 0.33
DDOST P39656 1/20 0.32
PRKAR2A P13861 1/20 0.32
PRKAR2B P31323 1/20 0.32
LDHB P07195 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD3 Q99594 1/20 0.32

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
SCHEMBL17882154 0.92 KDM1A (0.66) KDM1ARCOR1TERF2IPTERF2LDHB
SCHEMBL17860821 0.85 KDM1A (0.77) KDM1ARCOR1TERF2IPTERF2LDHB
SCHEMBL17882199 0.83 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHB
SCHEMBL19386931 0.82 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHB
SCHEMBL25639947 0.80 KDM1A (0.70) KDM1ARCOR1TERF2IPTEAD4TEAD3
SCHEMBL17882134 0.79 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHB
SCHEMBL19386829 0.79 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHB
SCHEMBL17882037 0.79 KDM1A (0.76) KDM1ARCOR1TERF2IPTERF2LDHB
SCHEMBL19386940 0.78 KDM1A (0.65) KDM1ARCOR1TERF2IPTERF2LDHB
SCHEMBL19386874 0.78 KDM1A (0.65) KDM1ARCOR1TERF2IPTERF2LDHB

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-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed