SCHEMBL25583315

SCHEMBL25583315

CCC(C)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(C)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 10/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CYP2C9 P11712 1/20 0.39
▸ NPC1 O15118 1/20 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
SCHEMBL17933670 0.95 CHKA (0.41) CHKARAB9AKDM4EALDH1A1BCHE
SCHEMBL12193645 0.89 CHKA (0.42) CHKARAB9AALDH1A1BCHEACHE
SCHEMBL12193637 0.86 BCHE (0.44) CHKARAB9AKDM4EALDH1A1BCHE
SCHEMBL12106899 0.82 CHKA (0.51) CHKARAB9AKDM4EALDH1A1ACHE
SCHEMBL13328569 0.79 CA1 (0.37) CHKAALDH1A1BCHEACHECYP2C9
SCHEMBL19027079 0.79 TSHR (0.47) RAB9AALDH1A1CYP2C9NPC1
SCHEMBL17933667 0.77 KMT2A (0.45) RAB9AKDM4EALDH1A1NPC1
SCHEMBL9348164 0.76 TSHR (0.52) RAB9AALDH1A1CYP2C9NPC1
SCHEMBL18295687 0.76 TSHR (0.52) RAB9AALDH1A1CYP2C9NPC1
SCHEMBL12193644 0.76 ALDH1A1 (0.37) CHKARAB9AALDH1A1CYP2C9NPC1

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-20230178784-A1 REDOX RELAY FLOW BATTERIES AND METHODS OF MAKING THE SAME OHIO STATE INNOVATION FOUNDATION 2023-06-08 — — US disclosed
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