SCHEMBL20176018

SCHEMBL20176018

CCCC(=O)OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 2/20 0.56
GLA P06280 1/20 0.55
BRCA1 P38398 1/20 0.55
HPGD P15428 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL11000826 0.88 ALDH1A1 (0.63) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL24688014 0.84 CYP1A2 (0.60) TSHRALDH1A1HSD17B10GAAHPGD
SCHEMBL9847184 0.83 ALDH1A1 (0.66) TSHRALDH1A1SMN1; SMN2HSD17B10TDP1
SCHEMBL10455631 0.83 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL10455745 0.83 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL29500204 0.83 SMN1; SMN2 (0.65) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL9847216 0.82 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL10455640 0.82 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2HSD17B10TDP1
SCHEMBL7340478 0.82 HSD17B10 (0.60) TSHRALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL9798486 0.81 HPGD (0.63) TSHRALDH1A1SMN1; SMN2POLBHSD17B10

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-10876252-B2 Process for dyeing and foaming thermoplastic polyurethane HUNTSMAN INTERNATIONAL LLC (US) 2020-12-29 US disclosed
US-20200063338-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC 2020-02-27 US disclosed
WO-2018091446-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC (US) 2018-05-24 WO disclosed