SCHEMBL2592477

SCHEMBL2592477

C=CC(=O)NC(O)(C(=O)O)C(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TGM2 P21980 2/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL8975394 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL11121753 0.71 CYP2C19 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL3136079 0.71 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL976113 0.71
SCHEMBL27961654 0.71 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL1420537 0.68 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL28473797 0.68 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL5138580 0.67 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL2943903 0.67
SCHEMBL1548739 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988606-B2 Generation of airway and lung progenitors and epithelial cells and three-dimensional anterior foregut spheres THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-20150247124-A1 Generation of Airway and Lung Progenitors and Epithelial Cells and Three-Dimensional Anterior Foregut Spheres THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-09-03 US disclosed
US-20140038847-A1 SCREENING AND CULTURING DEVICE AND METHODS FOR THE USE THEREOF MICROSTEM, INC. (US) 2014-02-06 US disclosed
WO-2014018691-A1 GENERATION OF AIRWAY AND LUNG PROGENITORS AND EPITHELIAL CELLS AND THREE-DIMENSIONAL ANTERIOR FOREGUT SPHERES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-01-30 WO disclosed
US-20130130376-A1 SCREENING METHODS, COMPOSITIONS IDENTIFIED THEREBY, TOOLS USEFUL FOR THE IDENTIFICATION THEREOF, AND CELL POPULATIONS PRODUCED THEREBY SEROBYAN NAIRA (US) 2013-05-23 US disclosed
EP-2566975-A2 SCREENING METHODS, COMPOSITIONS IDENTIFIED THEREBY, TOOLS USEFUL FOR THE IDENTIFICATION THEREOF, AND CELL POPULATIONS PRODUCED THEREBY Microstem, Inc. (US) 2013-03-13 EP disclosed
WO-2012065003-A2 SCREENING AND CULTURING DEVICE AND METHODS FOR THE USE THEREOF MICROSTEM, INC. (US) 2012-05-18 WO disclosed
WO-2011139993-A2 SCREENING METHODS, COMPOSITIONS IDENTIFIED THEREBY, TOOLS USEFUL FOR THE IDENTIFICATION THEREOF, AND CELL POPULATIONS PRODUCED THEREBY MICROSTEM, INC. (US) 2011-11-10 WO disclosed