SCHEMBL7095574

SCHEMBL7095574

c1ccc(-c2nccn2CCCCn2ccnc2-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.68
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
PLAA Q9Y263 1/20 0.48
ALPG P10696 1/20 0.47
TSHR P16473 2/20 0.46
PDE6D O43924 2/20 0.45
P2RX7 Q99572 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
LIMK2 P53671 1/20 0.43
TLR8 Q9NR97 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3833947 0.92 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL8971577 0.92 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL4944410 0.92 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL8910757 0.92 ESR1 (0.59) ESR1CYP3A4CYP2C19CYP2C9HIF1A
Hexadecane SCHEMBL5816538 0.90 ESR1 (0.57) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL29073255 0.90 ESR1 (0.57) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL11016233 0.90 ESR1 (0.57) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL28213135 0.90 ESR1 (0.57) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL14675947 0.90 ESR1 (0.57) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL462619 0.90 ESR1 (0.60) ESR1CYP3A4CYP2C19CYP2C9HIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230378532-A1 PolyElectrolyte Composition and Methods of Preparation Thereof Kraton Corporation (US) 2023-11-23 US claimed
EP-4280332-A1 POLYELECTROLYTE COMPOSITION AND METHODS OF PREPARATION THEREOF Kraton Polymers Nederland B.V. (NL) 2023-11-22 EP claimed
US-20230378532-A1 PolyElectrolyte Composition and Methods of Preparation Thereof Kraton Corporation (US) 2023-11-23 US disclosed
EP-4280332-A1 POLYELECTROLYTE COMPOSITION AND METHODS OF PREPARATION THEREOF Kraton Polymers Nederland B.V. (NL) 2023-11-22 EP disclosed
EP-1051144-B1 USE OF HETEROCYCLIC QUATERNARY POLYAMMONIUM POLYMERS AS PROTECTIVE AGENT FOR KERATIN FIBRES AND COSMETIC COMPOSITIONS OREAL (FR) 2003-09-03 EP disclosed
US-6416770-B1 Use of heterocyclic quaternary polyammonium polymers as protective agent for keratin fibres and cosmetic compositions L'ORéAL S.A. (FR) 2002-07-09 US disclosed