SCHEMBL18685685

SCHEMBL18685685

CC(C)CC(=O)NCCSC1CCCCC1SCCNC(=O)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
PREP P48147 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 4/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
MDM2 Q00987 1/20 0.35
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL11929608 0.74 TP53 (0.50) SMN1; SMN2TP53PREPALDH1A1KMT2A
SCHEMBL13618223 0.73 ALDH1A1 (0.54) TSHRSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL21137267 0.73 SMN1; SMN2 (0.45) TSHRSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL18908668 0.72 SMN1; SMN2 (0.59) SMN1; SMN2TP53ALDH1A1KMT2AHPGD
SCHEMBL18685664 0.71 TSHR (0.53) TSHRSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL11890389 0.70 EPHX1 (0.48) SMN1; SMN2TP53PREPHPGDRAB9A
SCHEMBL9575 0.69 EPHX1 (0.52) SMN1; SMN2ALDH1A1HPGDRAB9AEPHX1
SCHEMBL25083177 0.69 TSHR (0.45) TSHRSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL22338220 0.69 TSHR (0.45) TSHRSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL16674468 0.69 TP53 (0.45) SMN1; SMN2TP53PREPALDH1A1KMT2A

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
WO-2017053586-A1 DEVICE, SYSTEM AND METHOD FOR USING THE DEVICE OR SYSTEM FOR ASSAYING AN ANALYTE IN A SAMPLE CEDARS-SINAI MEDICAL CENTER (US) 2017-03-30 WO disclosed