SCHEMBL28073632

SCHEMBL28073632

CC([CH]C=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
TP53 P04637 2/20 0.46
GRIA4 P48058 4/20 0.41
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 3/20 0.38
TYR P14679 1/20 0.37
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CYP1A2 P05177 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL96262 0.83 TSHR (0.53) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL30145350 0.82 TSHR (0.52) TSHRTP53GRIA4NR1H4LMNA
Methane SCHEMBL10638817 0.82 TSHR (0.52) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL28185895 0.75 ALDH1A1 (0.38) TYRALDH1A1KDM4EHSD11B1
SCHEMBL28318821 0.72 ALDH1A1 (0.47) TSHRLMNACYP1A2AKR1C3AKR1C2
SCHEMBL5803511 0.72 TSHR (0.50) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL9006590 0.72 TSHR (0.50) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL30633860 0.72 TSHR (0.46) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL17722885 0.72 TSHR (0.46) TSHRTP53GRIA4NR1H4LMNA
SCHEMBL10234326 0.72 TSHR (0.46) TSHRTP53GRIA4NR1H4LMNA

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
CN-105792795-B Improvement relevant to the beneficial agent of encapsulating 荷兰联合利华有限公司 2019-09-06 CN disclosed
CN-103781460-B Benefit agent delivery particles comprising dextran UNILEVER NEDERLAND B.V. (NL) 2016-05-18 CN disclosed