SCHEMBL9493909

SCHEMBL9493909

C=CCOC(=O)C(Cc1ccccc1)NC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.61
ALDH1A1 P00352 2/20 0.56
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
PAM P19021 1/20 0.52
GNPAT O15228 1/20 0.49
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CTRB1 P17538 3/20 0.48
CASP1 P29466 1/20 0.47
POLB P06746 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL9493914 1.00 TACR1 (0.61) TACR1ALDH1A1CTSSCTSKPAM
SCHEMBL14582841 0.88 TACR1 (0.50) TACR1ALDH1A1
SCHEMBL9493061 0.86 ALDH1A1 (0.51) TACR1ALDH1A1ATMTHRBCYP2C9
SCHEMBL9493066 0.86 ALDH1A1 (0.51) TACR1ALDH1A1ATMTHRBCYP2C9
SCHEMBL328715 0.86 TACR1 (0.60) TACR1ALDH1A1CTSSCTSKPAM
SCHEMBL284864 0.86 TACR1 (0.60) TACR1ALDH1A1CTSSCTSKPAM
SCHEMBL9492999 0.84 PSMB5 (0.51) TACR1ALDH1A1POLB
SCHEMBL9493003 0.84 PSMB5 (0.51) TACR1ALDH1A1POLB
SCHEMBL20905743 0.84 TACR1 (0.47) TACR1ALDH1A1CASP1
SCHEMBL26896456 0.84 TACR1 (0.47) TACR1ALDH1A1CASP1

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
EP-0137385-B1 INTEGRATED CIRCUIT PACKAGE (1111111) HITACHI, LTD. (JP) 1988-03-02 EP claimed
JP-60126257-A None JP disclosed
EP-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP disclosed
JP-S60126257-A OPTICAL RESOLUTION OF DL-N-ACETYLPHENYLALANINE ALKYL ESTER NISSAN CHEM IND LTD 1985-07-05 JP disclosed