SCHEMBL5563296

SCHEMBL5563296

CCC(C)N(c1ccc(N(C)C)cc1)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TSHR P16473 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL15313074 0.91 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10ALOX15CYP3A4
SCHEMBL12304288 0.86 ALDH1A1 (0.31) ALDH1A1TSHRHSD17B10ALOX15CYP3A4
SCHEMBL29216795 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTDP1MAOAMAOB
SCHEMBL107809 0.80 TDP1 (0.50) ALDH1A1TSHRALOX15CYP3A4MAPK1
SCHEMBL6055615 0.80 ESR1 (0.45) ALDH1A1TSHRHSD17B10ALOX15CYP3A4
SCHEMBL2476976 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTP53LMNASMN1; SMN2
SCHEMBL7127555 0.78 KDM4A (0.44) ALDH1A1TSHRHSD17B10ALOX15CYP3A4
SCHEMBL17046026 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTP53LMNASMN1; SMN2
SCHEMBL8629718 0.75 TDP1 (0.45) ALDH1A1TSHRHSD17B10ALOX15CYP3A4
SCHEMBL39602 0.73 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298112-B1 SYNTHETIC ESTERS DERIVED FROM HIGH STABILITY OLEIC ACID QUAKER CHEM CORP (US) 2023-05-10 EP disclosed
US-20220081635-A1 SYNTHETIC ESTERS DERIVED FROM HIGH STABILITY OLEIC ACID QUAKER CHEMICAL CORPORATION (US) 2022-03-17 US disclosed
US-11155761-B2 Synthetic esters derived from high stability oleic acid QUAKER CHEMICAL CORPORATION (US) 2021-10-26 US disclosed
US-20180119043-A1 SYNTHETIC ESTERS DERIVED FROM HIGH STABILITY OLEIC ACID QUAKER CHEMICAL CORPORATION (US) 2018-05-03 US disclosed
EP-3298112-A1 SYNTHETIC ESTERS DERIVED FROM HIGH STABILITY OLEIC ACID Quaker Chemical Corporation (US) 2018-03-28 EP disclosed
WO-2016187288-A1 SYNTHETIC ESTERS DERIVED FROM HIGH STABILITY OLEIC ACID QUAKER CHEMICAL CORPORATION (US) 2016-11-24 WO disclosed
WO-2007120749-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. (US) 2007-10-25 WO disclosed
US-7230042-B2 Flame retardant polymer compositions containing hydroxylamine esters CIBA SPECIALTY CHEMICALS CORP. (US) 2007-06-12 US disclosed
US-20050203222-A1 Flame retardant polymer compositions containing hydroxylamine esters CIBA SPECIALTY CHEMICALS CORP. 2005-09-15 US disclosed
EP-0366040-A1 Compounds containing phenol groups as antioxidants in organic materials CIBA-GEIGY AG (CH) 1990-05-02 EP disclosed