SCHEMBL1817230

SCHEMBL1817230

C=C(C)C(=O)OC.CC(O)N1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
Methacrylic Acid SCHEMBL1817343 0.84 LMNA (0.45) ALDH1A1LMNACA12CA1CA2
Acetic Acid SCHEMBL29881172 0.81 LMNA (0.50) ALDH1A1LMNACA12CA1CA2
SCHEMBL27689543 0.80
SCHEMBL39044 0.80
SCHEMBL4154528 0.80 LMNA (0.44) ALDH1A1LMNACA12CA1CA2
Urea SCHEMBL14776158 0.77 LMNA (0.59) ALDH1A1LMNACA12CA1CA2
SCHEMBL11734817 0.75 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL20994003 0.75 TSHR (0.47) ALDH1A1LMNACA12CA1CA2
Acrylic Acid SCHEMBL21798556 0.75 LMNA (0.45) ALDH1A1LMNACA12CA1CA2
SCHEMBL7198087 0.75 LMNA (0.46) LMNACA12CA1CA2CA3

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 11 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
US-7750100-B2 Catalytic process for preparing (meth)acrylates from N-hydroxyalkylated lactams BASF AKTIENGESELLSCHAFT (DE) 2010-07-06 US disclosed
US-20070123673-A1 CATALYTIC PROCESS FOR PREPARING (METH)ACRYLATES FROM N-HYDROXYALKYLATED LACTAMS BASF AKTIENGESELLSCHAFT (DE) 2007-05-31 US disclosed