SCHEMBL20528330

SCHEMBL20528330

Cc1ccc(N)c(C(C)(O)CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
PGR P06401 1/20 0.35
CA1 P00915 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL33608 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL3291266 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL8903297 0.76 CDC25B (0.47) SMN1; SMN2TDP1THRBALDH1A1HSD17B10
SCHEMBL28669112 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL10216057 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL5147469 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL20528313 0.75 HSP90AA1 (0.36) SMN1; SMN2ALOX15TDP1CYP3A4ALDH1A1
SCHEMBL23005842 0.72 SMN1; SMN2 (0.53) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL20651276 0.72 SMN1; SMN2 (0.63) SMN1; SMN2ALOX15TDP1CYP3A4TP53
SCHEMBL12352871 0.72 SMN1; SMN2 (1.00) SMN1; SMN2ALOX15TDP1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286328-B2 Thermoplastic polyurethane elastomer, and preparation method, use and product thereof WANHUA CHEMICAL GROUP CO., LTD. 2022-03-29 US disclosed
US-20180291141-A1 THERMOPLASTIC POLYURETHANE ELASTOMER, AND PREPARATION METHOD, USE AND PRODUCT THEREOF WANHUA CHEMICAL GROUP CO., LTD. (CN) 2018-10-11 US disclosed