SCHEMBL25950210

SCHEMBL25950210

CCC(C)(C)COCC(C)(COCC(F)(F)C(F)(F)F)COC(=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAOA P21397 2/20 0.46
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 3/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL25950158 0.90 LMNA (0.45) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950203 0.86 LMNA (0.40) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950231 0.85 CYP3A4 (0.42) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950164 0.85 LMNA (0.45) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950226 0.81 PDK1 (0.41) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950132 0.81 LMNA (0.54) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL17308098 0.80 LMNA (0.49) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950143 0.80 LMNA (0.47) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL17308099 0.77 LMNA (0.46) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL25950207 0.77 TDP1 (0.40) NPC1RAB9AMAPTALDH1A1ADRB2

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
US-11725079-B2 Polyimide compositions and articles incorporating the same THE BOEING COMPANY (US) 2023-08-15 US disclosed