SCHEMBL15969887

SCHEMBL15969887

O=CN/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A6 P11509 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL15052966 1.00 AKR1C3 (0.48) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL14130850 1.00 AKR1C3 (0.48) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL14812173 0.81 AKR1C3 (0.46) AKR1C3ALDH1A1CYP3A4MEN1POLB
SCHEMBL14812175 0.81 AKR1C3 (0.46) AKR1C3ALDH1A1CYP3A4MEN1POLB
SCHEMBL9645294 0.78 AKR1C3 (0.50) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL1070872 0.78 AKR1C3 (0.55) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL8993857 0.78 AKR1C3 (0.50) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL13879068 0.78 AKR1C3 (0.55) AKR1C3AKR1C1ALDH1A1TSHRCYP3A4
SCHEMBL14355709 0.77 ALDH1A1 (0.46) AKR1C3ALDH1A1TSHRCYP2C9HTT
SCHEMBL3494804 0.77 MEN1 (0.64) AKR1C3ALDH1A1CYP2C9LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689673-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2020-06-23 US disclosed
US-10577634-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2020-03-03 US disclosed
US-20170298396-A1 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS INV NYLON CHEMICALS AMERICAS, LLC 2017-10-19 US disclosed
US-9650653-B2 Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA NORTH AMERICA S.A.R.L. (US) 2017-05-16 US disclosed
US-20150337275-A1 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS INVISTA TECHNOLOGIES S.A.R.L. (CH) 2015-11-26 US disclosed
US-20140242655-A1 Bioconversion Process for Producing Nylon-7, Nylon-7, 7 and Polyesters INVISTA TECHNOLOGIES S.A R.L. (CH) 2014-08-28 US disclosed
CN-104011216-A Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA TECHONOLOGIES S A R L 2014-08-27 CN disclosed