SCHEMBL11814803

SCHEMBL11814803

CN(C)CCCCC(=O)c1ccc2c(c1)Sc1cc(C(=O)CCCCN(C)C)ccc1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL11797748 0.82 SLC6A4 (0.46) TP53MAPTSMN1; SMN2SIGMAR1SLC6A4
SCHEMBL11747287 0.82 CTNNB1 (0.39) TSHRTP53MAPTSMN1; SMN2LMNA
SCHEMBL11862026 0.80 CYP1A2 (0.46) CYP1A2CYP2D6TSHRTP53THPO
Hydrochloric Acid SCHEMBL11862809 0.78 MEN1 (0.46) CYP1A2CYP2D6TSHRTP53THPO
SCHEMBL13488541 0.77 ALDH1A1 (0.64) MEN1KMT2AKDM4EALDH1A1CTNNB1
SCHEMBL11819666 0.75 HPGD (0.40) TSHRTHRATHRBCTNNB1WNT3A
SCHEMBL11819443 0.75 THRA (0.48) MAPTTHRATHRBALDH1A1CTNNB1
SCHEMBL11748266 0.74 KDM4E (0.55) TP53HSD17B10MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11819328 0.74 HPGD (0.39) TSHRMEN1GMNNMAPTRAD52
SCHEMBL11982953 0.74 EGFR (0.47) MAPTTHRATHRBKDM4EGSR

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
Send feedback