SCHEMBL21700181

SCHEMBL21700181

CCN(C)CCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HIF1A Q16665 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
EPHX1 P07099 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
GGPS1 O95749 3/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL23717454 0.98 TSHR (0.48) TSHRFAAHTRPV1HIF1AKDM5A
SCHEMBL4904166 0.91
SCHEMBL12429496 0.84 TSHR (0.56) TSHRFAAHTRPV1HIF1AKDM5A
SCHEMBL15865588 0.84 TSHR (0.70) TSHRFAAHTRPV1KDM5AKDM4C
SCHEMBL2385656 0.80
SCHEMBL15958687 0.80 CHRM2 (0.50) TSHRKDM5AKDM4CALDH1A1CHRM2
SCHEMBL2418443 0.79 TSHR (0.54) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL334434 0.78 TSHR (0.58) TSHRFAAHTRPV1HIF1AKDM5A
SCHEMBL7294715 0.78 TSHR (0.58) TSHRFAAHTRPV1HIF1AKDM5A
SCHEMBL18807792 0.78 TSHR (0.58) TSHRFAAHTRPV1HIF1AKDM5A

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
WO-2020257235-A1 1-(4-(AMINOMETHYL)BENZYL)-2-BUTYL-2H-PYRAZOLO[3,4-C]QUINOLIN-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR) 7/8 AGONISTS, AS WELL AS ANTIBODY DRUG CONJUGATES THEREOF FOR USE IN CANCER THERAPY AND DIAGNOSIS SUTRO BIOPHARMA, INC. (US) 2020-12-24 WO disclosed
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed