SCHEMBL16178552

SCHEMBL16178552

O=C(O)CCCCCCCCCCc1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.59
PTGER4 P35408 4/20 0.59
PTGER3 P43115 4/20 0.59
PTGER2 P43116 4/20 0.59
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
F13A1 P00488 3/20 0.53
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 2/20 0.51
KMT2A Q03164 1/20 0.50
LTB4R Q15722 1/20 0.50
PTGIR P43119 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL11069817 1.00 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL28959383 1.00 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL28417410 1.00 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL28313950 0.98 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2MAPT
Bromide SCHEMBL27464773 0.95 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL6843947 0.93 PTGER4 (0.63) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL29591234 0.90 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL27742528 0.88 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL11038460 0.87 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL5614218 0.86 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9534104-B2 Plasticizer blends and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-01-03 US disclosed
WO-2015112285-A1 PLASTICIZER BLENDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-30 WO disclosed
US-20140315021-A1 Plasticizer Blends and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US disclosed