SCHEMBL24372287

SCHEMBL24372287

C=C(C)CCCCCCCN(CCCCC)CCCCCCCC(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.46
PHF8 Q9UPP1 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
DNM1 Q05193 3/20 0.41
GBA1 P04062 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MGLL Q99685 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38

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
SCHEMBL24372510 0.96 KDM5A (0.44) KDM5APHF8KDM4CCA12CA1
SCHEMBL24372543 0.96 KDM5A (0.44) KDM5APHF8KDM4CCA12CA1
SCHEMBL24372427 0.96 KDM5A (0.44) KDM5APHF8KDM4CCA12CA1
SCHEMBL24372338 0.91 KDM5A (0.39) KDM5APHF8KDM4CCA12CA1
SCHEMBL24372281 0.91 KDM5A (0.39) KDM5APHF8KDM4CCA12CA1
SCHEMBL24372330 0.89 KDM5A (0.38) KDM5APHF8KDM4CCA12CA1
Hydrochloric Acid SCHEMBL22771618 0.87 GBA1 (0.39) KDM5APHF8KDM4CCA12CA1
SCHEMBL21916297 0.86 CA12 (0.41) KDM5APHF8KDM4CCA12CA1
SCHEMBL22986932 0.86 CES2 (0.50) CES2CES1THRBPPARGPPARD
SCHEMBL21834650 0.86 CES2 (0.50) CES2CES1THRBPPARGPPARD

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-3718565-B1 RESPIRATORY VIRUS VACCINES MODERNATX INC (US) 2022-04-27 EP disclosed