SCHEMBL22018993

SCHEMBL22018993

CCC1=CCCC(CC)=C1NC(=O)CSc1nnc(C(C)C)n1CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ GLA P06280 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL18559209 0.72 TSHR (1.00) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL18559294 0.72 TSHR (0.88) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL18559039 0.71 TSHR (0.76) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL18559212 0.69 L3MBTL1 (0.85) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL16491233 0.69 SMN1; SMN2 (1.00) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL19520583 0.64 SMN1; SMN2 (0.57) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL19520385 0.64 L3MBTL1 (0.62) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL15983429 0.64 TSHR (0.59) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL15983444 0.63 SMN1; SMN2 (0.60) TSHRSMN1; SMN2TP53GLANPC1
SCHEMBL19520360 0.61 TSHR (0.68) TSHRSMN1; SMN2TP53NPSR1ALDH1A1

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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 — — EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 — — EP disclosed
Send feedback