SCHEMBL7941741

SCHEMBL7941741

C=CCOOC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
HPGD P15428 2/20 0.52
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HCAR2 Q8TDS4 3/20 0.41
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL7267486 0.83 TSHR (0.57) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL6707402 0.81 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL8026690 0.81 ALDH1A1 (0.48) TSHRHPGDALDH1A1HCAR2TDP1
SCHEMBL27765821 0.81 TSHR (0.53) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL3625335 0.81 ALDH1A1 (0.54) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL9237086 0.79 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
Hydrochloric Acid SCHEMBL27876736 0.79 TSHR (0.51) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL9394547 0.79 ALDH1A1 (0.52) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL1920830 0.78 CYP3A4 (0.41) TSHRALDH1A1TDP1MAPTNPSR1
SCHEMBL35879 0.78 ALDH1A1 (0.61) TSHRHPGDATMALDH1A1HCAR2

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-6255032-B1 Chemically amplified color resist composition INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2001-07-03 US claimed
US-6255032-B1 Chemically amplified color resist composition INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2001-07-03 US disclosed