SCHEMBL29150407

SCHEMBL29150407

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
POLB P06746 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
NPC1 O15118 2/20 0.45
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL27628287 0.87 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL27589953 0.83 TSHR (0.47) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1068955 0.82 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14690004 0.82 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL560828 0.82 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1073212 0.82 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL569520 0.80 LMNA (0.49) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14690381 0.80 LMNA (0.49) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14689954 0.80 LMNA (0.49) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL83439 0.80 TSHR (0.47) LMNACYP1A2CYP2D6POLBSCN1A

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
CN-117255815-A Photocurable composition, cured product thereof, and display device comprising same 株式会社东进世美肯 2023-12-19 CN disclosed