SCHEMBL11601388

SCHEMBL11601388

CCOC(=O)NCC=CCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ MGAM O43451 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 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
SCHEMBL9702286 0.80 AKT1 (0.39) CYP2C19
SCHEMBL28815661 0.79 GAA (0.39) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL2338040 0.79 GAA (0.39) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL25960109 0.78 KMT2A (0.33) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL12393899 0.78 NR1I2 (0.45) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL12003317 0.77 GLA (0.39) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL3260744 0.76 HCAR2 (0.48) KMT2AGAAMGAMSIMGAM2
SCHEMBL9772247 0.74 GAA (0.36) GLAKMT2ASMN1; SMN2TSHRGAA
SCHEMBL1147121 0.74 — —
SCHEMBL2335067 0.73 CYP2C9 (0.41) GLAKMT2ASMN1; SMN2TSHRGAA

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-4100143-A Filaments which may be cross-linked comprising at least 65% acrylonitrile and 0.5-10% N-methylol derivative of a urethane BAYER AKTIENGESELLSCHAFT (DE) 1978-07-11 — — US disclosed
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