SCHEMBL24564765

SCHEMBL24564765

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

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.80
▸ RCOR1 Q9UKL0 2/20 0.80
▸ LDHB P07195 3/20 0.42
▸ SSTR5 P35346 5/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ TEAD4 Q15561 1/20 0.41
▸ TEAD3 Q99594 1/20 0.41
▸ SSTR2 P30874 3/20 0.41
▸ SSTR4 P31391 3/20 0.41
▸ TERF2IP Q9NYB0 2/20 0.40
▸ F11 P03951 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TERF2 Q15554 1/20 0.39

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
SCHEMBL21335203 0.96 KDM1A (0.79) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL17992356 0.96 KDM1A (0.79) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL19982014 0.93 KDM1A (0.83) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL29692248 0.93 KDM1A (0.83) KDM1ARCOR1LDHBSSTR5EGFR
Desfa-[Dab1]Polymyxin B SCHEMBL29354296 0.92 KDM1A (0.86) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL21335145 0.91 KDM1A (0.88) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL16426328 0.91 KDM1A (0.84) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL16426297 0.91 KDM1A (0.88) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL17655763 0.91 KDM1A (0.81) KDM1ARCOR1LDHBSSTR5EGFR
SCHEMBL17655767 0.91 KDM1A (0.81) KDM1ARCOR1LDHBSSTR5EGFR

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
EP-2999711-B1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS INC (US) 2022-06-29 — — EP disclosed
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