SCHEMBL11665265

SCHEMBL11665265

C=CC(OC(=O)c1ccccc1)c1ccccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 3/20 0.36
F2 P00734 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP2D6 P10635 2/20 0.35
AKT1 P31749 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
SCN1A P35498 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
Cyclohexane SCHEMBL10818966 0.96 TP53 (0.42) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL8595323 0.78 TSHR (0.49) TSHRTP53LMNAF2POLB
SCHEMBL29190248 0.76 TSHR (0.52) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL7591273 0.73 TSHR (0.49) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL11303511 0.73 TSHR (0.43) TSHRTP53SLC6A3LMNAPOLB
SCHEMBL2454842 0.71 L3MBTL1 (0.44) TSHRTP53LMNAPOLBCYP2D6
SCHEMBL14362156 0.70 TSHR (0.57) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL3791059 0.70 TSHR (0.57) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL6290520 0.70 TP53 (0.45) TSHRTP53SLC6A4SLC6A3LMNA
SCHEMBL8662415 0.69 ALDH1A1 (0.45) TSHRTP53LMNAALDH1A1

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
US-4103482-A ULTRA-THIN, PIEZOELECTRIC TUNING FORK MARUYAMA MITSUAKI 1978-08-01 US disclosed
US-4000084-A LIQUID CRYSTAL MIXTURES FOR ELECTRO-OPTICAL DISPLAY DEVICES HUGHES AIRCRAFT COMPANY (US) 1976-12-28 US disclosed