SCHEMBL8281043

SCHEMBL8281043

CCCCC(CC)COCC(CN(CCOC)Cc1ccccc1)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CA2 P00918 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL8281052 0.92 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL8543593 0.89 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL23633829 0.83 CYP3A4 (0.47) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL26429167 0.79 POLB (0.51) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL8281048 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL24973032 0.78 NR1H3 (0.39) ALDH1A1TSHRMAPK1MAOBKMT2A
SCHEMBL8281045 0.75 TSHR (0.45) ALDH1A1POLBTSHRMAPK1NPC1
SCHEMBL28221097 0.73 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2POLBLMNA
SCHEMBL8281041 0.72 TSHR (0.43) ALDH1A1CYP3A4POLBLMNATSHR
SCHEMBL14629715 0.71 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779055-B2 Hydrophobically modified alkylene oxide urethane polymer ROHM AND HAAS COMPANY (US) 2014-07-15 — — US disclosed
US-8779055-B2 Hydrophobically modified alkylene oxide urethane polymer ROHM AND HAAS COMPANY (US) 2014-07-15 — — US disclosed
EP-2594595-A1 Hydrophobically modified alkylene oxide urethane polymer Rohm and Haas Company (US) 2013-05-22 — — EP disclosed
US-20120130000-A1 HYDROPHOBICALLY MODIFIED ALKYLENE OXIDE URETHANE POLYMER ROHM AND HAAS COMPANY 2012-05-24 — — US disclosed
US-20120130000-A1 HYDROPHOBICALLY MODIFIED ALKYLENE OXIDE URETHANE POLYMER ROHM AND HAAS COMPANY 2012-05-24 — — US disclosed
EP-2455412-A1 Hydrophobically modified alkylene oxide urethane polymer Rohm and Haas Company (US) 2012-05-23 — — EP disclosed
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