SCHEMBL1817231

SCHEMBL1817231

C=C(C)C(=O)OC.O=C1CCCN1CCO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
PIK3CD O00329 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL28310268 0.85 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2L3MBTL1TSHR
Methacrylic Acid SCHEMBL1817345 0.85 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2TSHRMEN1
Acetic Acid SCHEMBL31290083 0.81 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL163326 0.79 KMT2A (0.46) KMT2AALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL39045 0.79
SCHEMBL819041 0.78 TSHR (0.52) KMT2ATSHRMEN1PIK3CD
Arsenic SCHEMBL28233851 0.78 TSHR (0.52) KMT2ATSHRMEN1PIK3CD
Water SCHEMBL9676194 0.78 TSHR (0.52) KMT2ATSHRMEN1PIK3CD
Ammonia Solution, Strong SCHEMBL29940029 0.78 TSHR (0.52) KMT2ATSHRMEN1PIK3CD
SCHEMBL2241197 0.77 KMT2A (0.43) KMT2ASMN1; SMN2L3MBTL1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018017390-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO claimed
WO-2018017408-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO claimed
US-20130150481-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF HERCULES LLC 2013-06-13 US claimed
WO-2011084833-A1 COMPOSITIONS COMPRISING A REACTIVE MONOMER AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-07-14 WO claimed
WO-2018017390-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO disclosed
WO-2018017408-A1 A HAIR CARE COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2018-01-25 WO disclosed
EP-2501728-B1 ALKYL LACTAM ESTER POLYMERS, AND USES THEREOF ISP INVESTMENTS INC (US) 2015-01-07 EP disclosed
EP-2501728-A1 ALKYL LACTAM ESTER POLYMERS, AND USES THEREOF Isp Investments Inc. (US) 2012-09-26 EP disclosed
WO-2011063208-A1 ALKYL LACTAM ESTER POLYMERS, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-05-26 WO disclosed