SCHEMBL7436006

SCHEMBL7436006

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.72
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 5/20 0.70
HSD17B10 Q99714 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HTT P42858 2/20 0.70
RAB9A P51151 1/20 0.70
HPGD P15428 3/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ADORA3 P0DMS8 2/20 0.64
GAA P10253 3/20 0.60
CACNA1F O60840 3/20 0.59
CACNA1D Q01668 3/20 0.59
CACNA1S Q13698 3/20 0.59
CACNA1C Q13936 3/20 0.59
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.57

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
SCHEMBL7265410 0.94 TSHR (0.65) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11009730 0.93 TSHR (0.64) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7881093 0.88 ALDH1A1 (0.72) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16137718 0.88 TSHR (0.70) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10895180 0.87 CACNA1F (0.76) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11817128 0.87 KDM4E (0.76) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7879285 0.87 CACNA1F (0.76) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3320696 0.87 TSHR (0.68) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14638107 0.87 TSHR (0.57) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3905675 0.86 ADORA3 (0.83) TSHRKDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 CN disclosed
CN-110483563-B Preparation method and application of novel ionic beta-naphthoic aldehyde Schiff base zirconium complex 山西医科大学 2021-12-28 CN disclosed
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 US disclosed
US-5559004-A Methods for screening compounds to determine calcium leak channel inhibition activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-09-24 US disclosed
US-5198226-A Sustained release SYNTEX (U.S.A.) INC. (US) 1993-03-30 US disclosed
US-4940556-A SUSTAINED RELEASE OF CALCIUM CHANNEL BLOCKERS SYNTEX (U.S.A.) INC. (US) 1990-07-10 US disclosed
EP-0301133-A2 Long acting formulation SYNTEX (U.S.A.) INC. (US) 1989-02-01 EP disclosed
EP-0285267-A2 Pyridine derivatives for treatment and prevention of liver damage, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-10-05 EP disclosed