SCHEMBL9724438

SCHEMBL9724438

O=C(O)CCCCCCCCCCCCCCCCCn1nnc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.78
SLC9A1 P19634 6/20 0.64
CYP4Z1 Q86W10 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2B6 P20813 1/20 0.61
CYP4F8 P98187 1/20 0.61
CYP4F12 Q9HCS2 1/20 0.61
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
MGAM O43451 1/20 0.55
AMY1A P0DUB6 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
PTGIR P43119 2/20 0.52

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
Ammonia Solution, Strong SCHEMBL28532662 0.91 EGLN3 (0.65) EGLN3SLC9A1CYP4Z1CYP1A2CYP2C8
SCHEMBL12800803 0.88 SLC9A1 (0.64) EGLN3SLC9A1MAPTKDM4ERAB9A
SCHEMBL6885340 0.88 EGLN3 (1.00) EGLN3SLC9A1MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL31714030 0.86 EGLN3 (0.97) EGLN3SLC9A1MAPTKDM4ERAB9A
Acetic Acid SCHEMBL28609600 0.83 SLC9A1 (0.83) EGLN3SLC9A1CYP4Z1MAPTKDM4E
SCHEMBL6846939 0.82 EGLN3 (0.68) EGLN3SLC9A1MAPTKDM4ERAB9A
SCHEMBL3380663 0.82 KDM4E (0.74) KDM4ERAB9ANPC1POLB
SCHEMBL12393295 0.81 SLC9A1 (0.63) EGLN3SLC9A1MAPTKDM4ERAB9A
SCHEMBL14796568 0.81 SLC9A1 (0.79) EGLN3SLC9A1MAPTKDM4ERAB9A
SCHEMBL13825807 0.80 SLC9A1 (0.62) EGLN3SLC9A1MAPTKDM4ERAB9A

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-5153173-A Administering to humans and animals to modulate immunoresponse PLIVA FARMACEUTSKA (YU) 1992-10-06 US disclosed
EP-0390039-A2 N-Acyl derivatives of the peptidoglycan monomer, pharmaceutically acceptable salts thereof, their preparation and use in the manufacture of immunomodulators and immunoadjuvants PLIVA FARMACEUTSKA, KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA S P.O. (YU) 1990-10-03 EP disclosed