SCHEMBL8734158

SCHEMBL8734158

C=C(C)C(=O)OCCC(C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 4/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL3295842 0.89 THRB (0.49) THRBTSHRALDH1A1GABRPGABRD
SCHEMBL11713496 0.85 TSHR (0.47) THRBTSHRALDH1A1GABRPGABRD
SCHEMBL4835674 0.84 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL496658 0.83 TSHR (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL41669 0.83 TSHR (0.63) THRBTSHRALDH1A1TDP1POLB
SCHEMBL65233 0.82 TSHR (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL10628321 0.82 TSHR (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL27733083 0.82 TSHR (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL27642349 0.82 TSHR (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL5827329 0.81 THRB (0.52) THRBTSHRALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US claimed
CN-117209418-A Preparation and purification method of high-purity nicardipine hydrochloride 华仁医学研究(安徽)有限公司 2023-12-12 CN disclosed
EP-0611088-B1 Crosslinkable PVC-plastisol NIPPON ZEON CO (JP) 1998-09-02 EP disclosed
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US disclosed
US-5350550-A Method of production of a plastic laminate NIPPON ZEON CO., LTD. (JP) 1994-09-27 US disclosed
EP-0611088-A1 Crosslinkable PVC-plastisol NIPPON ZEON CO., LTD. (JP) 1994-08-17 EP disclosed